norgesterone (Q21098962)

Norgesterone (English)

14 October 2016

chemical formula

C₂₀H₂₈O₂

1 reference

Norgesterone (English)

14 October 2016

canonical SMILES

CC12CCC3C(C1CCC2(C=C)O)CCC4=C3CCC(=O)C4

1 reference

Norgesterone (English)

14 October 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C=C)O)CCC4=C3CCC(=O)C4

1 reference

Norgesterone (English)

InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h3,16-18,22H,1,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Norgesterone (English)

14 October 2016

2 references

Norgesterone (English)

Global Substance Registration System

14 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

13563-60-5

2 references

stated in

UNII

YFS274763Y

norgesterone (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=13563-60-5

8 April 2021

1 reference

norgesterone (English)

14 October 2016

2 references

Norgesterone (English)

14 October 2016

ChEBI ID

135271

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h3,16-18,22H,1,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1

1 reference

NORGESTERONE (English)

14 October 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

YFS274763Y

norgesterone (English)

14 October 2016