11-ketoprogesterone (Q27273369)

11-Ketoprogesterone (English)

17α-pregn-4-ene-3,11,20-trione

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₃

1 reference

11-Ketoprogesterone (English)

14 October 2016

canonical SMILES

CC(=O)C1CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C

1 reference

11-Ketoprogesterone (English)

14 October 2016

isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

1 reference

11-Ketoprogesterone (English)

InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16+,17-,19+,20-,21+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

11-Ketoprogesterone (English)

WKAVAGKRWFGIEA-DADBAOPHSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

11-Ketoprogesterone (English)

14 October 2016

2 references

11-ketoprogesterone (English)

WKAVAGKRWFGIEA-DADBAOPHSA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=516-15-4

1 reference

11-Ketoprogesterone (English)

14 October 2016

1 reference

11-Ketoprogesterone (English)

14 October 2016

ChEBI ID

166773

mapping relation type

exact match

1 reference

ChEBI release 2021-03-01

1 reference

CHEMBL284253 (English)

14 October 2016

1 reference

inferred from InChIKey

1 reference

208-222-1

1 reference

Global Substance Registration System

11-ketoprogesterone (English)

ECHA Substance Infocard ID

14 October 2016

100.007.476

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.476

27 December 2018

Pregn-4-ene-3,11,20-trione (English)

quotation

CAS no.: 516-15-4 (English)

1 reference

Global Substance Registration System

11-ketoprogesterone (English)