(Q27268380)

UNII-7J3A0YK2NA (English)

(20S)-4-pregnene-20,21-diol-3,11-dione

14 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₄

1 reference

UNII-7J3A0YK2NA (English)

14 October 2016

canonical SMILES

CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4C(CO)O)C

1 reference

UNII-7J3A0YK2NA (English)

14 October 2016

isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4[C@H](CO)O)C

1 reference

UNII-7J3A0YK2NA (English)

InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,18-19,22,25H,3-8,10-11H2,1-2H3/t14-,15-,16+,18-,19+,20-,21-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-7J3A0YK2NA (English)

UJDLFLAJWMSLEB-GVTHINQKSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-7J3A0YK2NA (English)

14 October 2016

1 reference

UNII

7J3A0YK2NA

(20R)-4-pregnene-20,21-diol-3,11-dione (English)

14 October 2016

1 reference

(20R)-20,21-Dihydroxypregn-4-ene-3,11-dione (English)

14 October 2016

2 references

UNII-7J3A0YK2NA (English)

matched by identifier from

14 October 2016

InChIKey

UJDLFLAJWMSLEB-GVTHINQKSA-N

1 reference

2 references

Global Substance Registration System

UNII

7J3A0YK2NA

(20R)-4-pregnene-20,21-diol-3,11-dione (English)