10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione

17α-Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone
17β-Hydroxy-3-oxopregn-4-en-21-carboxylic acid γ-lactone
3-(3-Oxo-17β-hydroxy-4-androsten-17-yl)propionic acid γ-lactone
3-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)propiolactone
3′-(3-Oxo-17β-hydroxyandrost-4-en-17α-yl)-propionic acid lactone
6,7-Dihydrocanrenone
Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	UWBICEKKOYXZRG-WNHSNXHDSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3
IUPAC name chemrof:IUPAC_name	10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione
Molecular formula chemrof:molecular_formula	C22H30O3
Molecular mass chemrof:molecular_mass	342.479
Monoisotopic mass chemrof:monoisotopic_mass	342.219495
SMILES string chemrof:smiles_string	CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC21CCC(=O)O1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=976-70-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.012.321	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID10875403	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL400534	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3N8TCN29OP	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J15.025H	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144718	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/101931	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q25100811	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/SC-5233	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ac778b95-ed21-42e1-95f6-0f052bb8f5c1	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
91d14bf5-1919-415b-8feb-4689cadba837	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
176b3ef7-fb51-47c6-adc2-9cf24e13388a	Environmental → Air → Indoor	EF 3.1	kg	2
5b242fba-2345-4c2b-b691-ca3591022571	Environmental → Air → Long-term	EF 3.1	kg	0
823f2a83-b3bd-498a-85d6-277c5b7f3ad6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
bd312bde-a2f5-4e62-800c-fc108addb46b	Environmental → Air → Unknown	EF 3.1	kg	2
5655e68f-a19c-4645-aaf1-7b2586f0561c	Environmental → Ground → Agricultural	EF 3.1	kg	2
45c2d354-1a52-4fb1-b9e2-f19a188ef236	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
ac68c50d-cd72-4e3a-a604-4f6f7426e51c	Environmental → Ground → Unknown	EF 3.1	kg	2
20020020-c148-48ea-b193-2760b4fddf5e	Environmental → Water → Long-term	EF 3.1	kg	0
eaaf2af6-4902-4794-99d0-ae3f6f2f747d	Environmental → Water → Ocean	EF 3.1	kg	2
bae1bc25-9b09-4c19-8eb8-7748fb575b70	Environmental → Water → Surface water	EF 3.1	kg	2
4e4f4cf6-1652-468b-8bd0-9b2a054a6c30	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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      "@value": [
        "213-552-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=213-552-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2h,4'h)-dione

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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