allopregnane-3β,17α-diol-20-one 3-acetate (Q27293252)

UNII-X12IGG0Y3F (English)

14 October 2016

chemical formula

C₂₃H₃₆O₄

1 reference

UNII-X12IGG0Y3F (English)

14 October 2016

canonical SMILES

CC(=O)C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)O

1 reference

UNII-X12IGG0Y3F (English)

14 October 2016

isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)O

1 reference

UNII-X12IGG0Y3F (English)

InChI=1S/C23H36O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h16-20,26H,5-13H2,1-4H3/t16-,17-,18+,19-,20-,21-,22-,23-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-X12IGG0Y3F (English)

TVQDBRRFOFGWDS-LQHFQCQCSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-X12IGG0Y3F (English)

14 October 2016

1 reference

UNII

X12IGG0Y3F

allopregnane-3β,17α-diol-20-one 3-acetate (English)

14 October 2016

1 reference

(3beta,5alpha)-17-Hydroxy-20-oxopregnan-3-yl acetate (English)

14 October 2016

2 references

UNII-X12IGG0Y3F (English)

matched by identifier from

14 October 2016

InChIKey

TVQDBRRFOFGWDS-LQHFQCQCSA-N

1 reference

0 references

0 references

2 references

Global Substance Registration System

UNII

X12IGG0Y3F

allopregnane-3β,17α-diol-20-one 3-acetate (English)