(Q27077203)

epipregnanolone sulfate (English)

3 October 2016

chemical formula

C₂₁H₃₄O₅S

1 reference

epipregnanolone sulfate (English)

3 October 2016

canonical SMILES

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

1 reference

epipregnanolone sulfate (English)

3 October 2016

isomeric SMILES

CC(=O)C1CCC2[C@@]1(CCC3C2CC[C@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C

1 reference

epipregnanolone sulfate (English)

InChI=1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15+,16?,17?,18?,19?,20+,21-/m1/s1

3 October 2016

Identifiers

InChI

1 reference

epipregnanolone sulfate (English)

MENQCIVHHONJLU-ACWDEBGSSA-N

3 October 2016

InChIKey

1 reference

epipregnanolone sulfate (English)

3 October 2016

1 reference

(3beta,5alpha)-20-Oxopregnan-3-yl hydrogen sulfate (English)

3 October 2016

1 reference

(3alpha,5beta,8xi,9xi,14xi)-20-Oxopregnan-3-yl hydrogen sulfate (English)

3 October 2016

1 reference

(3beta,5alpha,8alpha,9beta,10alpha,13alpha,14beta,17alpha)-20-Oxopregnan-3-yl hydrogen sulfate (English)

3 October 2016

1 reference

(8xi,9xi,10alpha,13alpha,14xi,17xi)-20-Oxopregnan-3-yl hydrogen sulfate (English)

3 October 2016

1 reference

(3alpha,5beta)-20-Oxopregnan-3-yl hydrogen sulfate (English)

3 October 2016

1 reference

(3beta,5alpha,10alpha,13alpha,17alpha)-20-Oxopregnan-3-yl hydrogen sulfate (English)

3 October 2016

1 reference

(3beta,5beta)-20-Oxopregnan-3-yl hydrogen sulfate (English)

3 October 2016

1 reference

Guide to Pharmacology Ligand ID

epipregnanolone sulfate (English)

3 October 2016

1 reference

4188

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

4188

epipregnanolone sulphate (English)