11a-hydroxy-estr-4-ene-3,17-dione

(11α)-11-Hydroxyestr-4-ene-3,17-dione
11α-Hydroxyestr-4-ene-3,17-dione
Estr-4-ene-3,17-dione, 11-hydroxy-, (11α)-
Estr-4-ene-3,17-dione, 11α-hydroxy-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	VDCOSJPGDDQNJH-JVSYPLCOSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h8,12-15,17,20H,2-7,9H2,1H3/t12-,13-,14-,15+,17+,18-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string	C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O
IUPAC name chemrof:IUPAC_name	11a-hydroxy-estr-4-ene-3,17-dione
Molecular formula chemrof:molecular_formula	C18H24O3
Molecular mass chemrof:molecular_mass	288.387
Monoisotopic mass chemrof:monoisotopic_mass	288.172545
SMILES string chemrof:smiles_string	CC12CC(O)C3C4CCC(=O)C=C4CCC3C1CCC2=O

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=6615-00-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.107.094	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70447807	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.379.726I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10902298	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q72483968	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
5ff63e21-6c6f-4903-aa61-e7e3529db5fd	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
193a0522-ae75-4832-b4dc-6f6810209358	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
65686749-53d7-494d-b76d-d68579687731	Environmental → Air → Indoor	EF 3.1	kg	2
7e60cc6e-fa3a-4d3d-93b7-02a328ba0314	Environmental → Air → Long-term	EF 3.1	kg	0
822e0df8-be6f-45e9-b9ed-e803d2e23a0c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
effc47f0-7490-47e1-b295-70747480a8f9	Environmental → Air → Unknown	EF 3.1	kg	2
d21a4666-d675-49fb-8f42-7d23294985de	Environmental → Ground → Agricultural	EF 3.1	kg	2
999df740-98b9-41ab-a0c1-21696f8ffce0	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
dd746310-ab17-4720-ad0f-431a04d61813	Environmental → Ground → Unknown	EF 3.1	kg	2
7e1f8890-d15e-4612-b089-e0ccfa231f49	Environmental → Water → Long-term	EF 3.1	kg	0
84358492-c7bd-4dd3-b202-446359be6342	Environmental → Water → Ocean	EF 3.1	kg	2
82bf3321-17a0-4094-95dd-ca4ab777c461	Environmental → Water → Surface water	EF 3.1	kg	2
4a93f88e-49f4-4882-82cf-c7ab5d9fa301	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

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11a-hydroxy-estr-4-ene-3,17-dione

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