(Q27132729)

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

7 October 2016

chemical formula

C₁₃H₁₇O₄⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC(=O)C(C1CCC2=O)CCC(=O)[O-]

1 reference

9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate (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-oate (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)/p-1/t8-,9-,13-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

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

PCCFNLPWOFTZPJ-RVBZMBCESA-M

7 October 2016

InChIKey

2 references

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

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

7 October 2016

1 reference

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

7 October 2016

ChEBI ID

63692

mapping relation type

1 reference