(Q27132766)

9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

7 October 2016

chemical formula

C₁₃H₁₈O₄

1 reference

9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

7 October 2016

canonical SMILES

CC12CCC(=O)C(C1CCC2=O)CCC(=O)O

1 reference

9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

7 October 2016

isomeric SMILES

C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)O

1 reference

9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

InChI=1S/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/t8-,9-,13-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

7 October 2016

2 references

9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

1944-63-4

1 reference

https://commonchemistry.cas.org/detail?cas_rn=1944-63-4

10 April 2021

1 reference

9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

7 October 2016

2 references

9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

matched by identifier from

7 October 2016

Reaxys registry number

2656920

1 reference

9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

7 October 2016

ChEBI ID

63741

mapping relation type

2 references

9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/t8-,9-,13-/m0/s1

1 reference

2 references

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

matched by identifier from

DSSTOX compound identifier

0 references

1 reference

9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid (English)