7-isopropyl-1-methylphenanthrene

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7-isopropyl-1-methylphenanthrene

UUID 5db6d1b9-b6ee-4797-baeb-06662c7f83bc

Flow Object ID fo-ed3261c792c354bf

Source EF 3.1

Context Environmental → Ground → Agricultural

CAS Numbers 483-65-8

EC Numbers 207-597-9

prefLabel

Language	Value	Provenance
`en`	`7-isopropyl-1-methylphenanthrene`

altLabel ⓘ

Language	Value	Provenance
`en`	`1-Methyl-7-(1-methylethyl)phenanthrene`
`en`	`1-Methyl-7-isopropylphenanthrene`
`en`	`1-Methyl-7-propan-2-ylphenanthrene`
`en`	`NSC 26317`
`en`	`Phenanthrene, 1-methyl-7-(1-methylethyl)-`
`en`	`Phenanthrene, 7-isopropyl-1-methyl-`
`en`	`Retene`

References

Shared Properties

Predicate	Value
InChIKey	`NXLOLUFNDSBYTP-UHFFFAOYSA-N, VUEMAFLGEMYXIH-YZPBMOCRSA-N`
InChI	`InChI=1S/C18H18/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h4-12H,1-3H3, InChI=1S/C37H67NO13.H3O4P/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-5(2,3)4/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;(H3,1,2,3,4)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;/m1./s1`
IUPAC name	(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;phosphoric acid, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-quinone;phosphoric acid, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;phosphoric acid, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-1-oxacyclotetradecane-2,10-dione;phosphoric acid, (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;phosphoric acid, 1-methyl-7-propan-2-yl-phenanthrene, 1-methyl-7-propan-2-ylphenanthrene, 7-isopropyl-1-methyl-phenanthrene
Molecular formula	`C18H18, C37H70NO17P`
SMILES	`CC1=C2C=CC3=C(C2=CC=C1)C=CC(=C3)C(C)C, CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O.OP(=O)(O)O, CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O.OP(=O)(O)O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`5db6d1b9-b6ee-4797-baeb-06662c7f83bc`	7-isopropyl-1-methylphenanthrene

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	7-isopropyl-1-methylphenanthrene	Emissions/Emissions to soil/Emissions to agricultural soil	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=7-isopropyl-1-methylphenanthrene\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=483-65-8; added Common Chemistry CAS names as altLabel: 1-Methyl-7-(1-methylethyl)phenanthrene, 1-Methyl-7-isopropylphenanthrene, 1-Methyl-7-propan-2-ylphenanthrene, NSC 26317, Phenanthrene, 1-methyl-7-(1-methylethyl)-, Phenanthrene, 7-isopropyl-1-methyl-, Retene; object_uuid=fo-ed3261c792c354bf
`cas_match_labels`	1	`—`	consensus_match	group_key=7-isopropyl-1-methylphenanthrene\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'483-65-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ed3261c792c354bf: {'483-65-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '1-Methyl-7-(1-methylethyl)phenanthrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:483-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=483-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Methyl-7-isopropylphenanthrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:483-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=483-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Methyl-7-propan-2-ylphenanthrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:483-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=483-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 26317', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:483-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=483-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenanthrene, 1-methyl-7-(1-methylethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:483-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=483-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenanthrene, 7-isopropyl-1-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:483-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=483-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Retene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:483-65-8', 'https://commonchemistry.cas.org/detail?cas_rn=483-65-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=7-isopropyl-1-methylphenanthrene\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=483-65-8; added Common Chemistry CAS names as altLabel: 1-Methyl-7-(1-methylethyl)phenanthrene, 1-Methyl-7-isopropylphenanthrene, 1-Methyl-7-propan-2-ylphenanthrene, NSC 26317, Phenanthrene, 1-methyl-7-(1-methylethyl)-, Phenanthrene, 7-isopropyl-1-methyl-, Retene; object_uuid=fo-ed3261c792c354bf
`cas_match_labels`	`None`	`{'483-65-8': 'exactMatch'}`	group_key=7-isopropyl-1-methylphenanthrene\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'483-65-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ed3261c792c354bf: {'483-65-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-quinone;phosphoric acid",
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