allopregnane-3β,20β-diol diacetate (Q27257723)

inferred from InChIKey

mass

404.293±0 dalton

1 reference

UNII-3N6I9ZE156 (English)

allopregnane-3β,20α-diol diacetate

14 October 2016

stereoisomer of

2 references

inferred from InChIKey

Pregnane-3,20-diyl diacetate

inferred from InChI

1 reference

allopregnane-3α,20α-diol diacetate

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₂₅H₄₀O₄

1 reference

UNII-3N6I9ZE156 (English)

14 October 2016

canonical SMILES

CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C

1 reference

UNII-3N6I9ZE156 (English)

14 October 2016

isomeric SMILES

C[C@H]([C@H]1CC[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)OC(=O)C

1 reference

UNII-3N6I9ZE156 (English)

InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18+,19+,20+,21-,22+,23+,24+,25-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-3N6I9ZE156 (English)

VDZDKQBSTYNFGG-ILKYCFRXSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-3N6I9ZE156 (English)

14 October 2016

1 reference

UNII

3N6I9ZE156

allopregnane-3β,20β-diol diacetate (English)

14 October 2016

1 reference

(3beta,5alpha,20R)-Pregnane-3,20-diyl diacetate (English)

14 October 2016

2 references

UNII-3N6I9ZE156 (English)

matched by identifier from

14 October 2016

InChIKey

VDZDKQBSTYNFGG-ILKYCFRXSA-N

1 reference

2 references

Global Substance Registration System

UNII

3N6I9ZE156

allopregnane-3β,20β-diol diacetate (English)