(Q27076859)

CHEMBL320943 (English)

3 October 2016

chemical formula

C₃₁H₅₀O₆

1 reference

CHEMBL320943 (English)

3 October 2016

canonical SMILES

CCC(C)C(=O)OC1CC2C(CCC3C2(CCC(C3)O)C)C4C1(C(CC4)CCC5CC(CC(=O)O5)O)C

1 reference

CHEMBL320943 (English)

3 October 2016

isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@H]2[C@@H](CC[C@H]3[C@@]2(CC[C@H](C3)O)C)[C@H]4[C@]1(C(CC4)CC[C@@H]5C[C@H](CC(=O)O5)O)C

1 reference

CHEMBL320943 (English)

InChI=1S/C31H50O6/c1-5-18(2)29(35)37-27-17-26-24(10-7-20-14-21(32)12-13-30(20,26)3)25-11-8-19(31(25,27)4)6-9-23-15-22(33)16-28(34)36-23/h18-27,32-33H,5-17H2,1-4H3/t18-,19?,20+,21+,22+,23+,24-,25-,26-,27-,30-,31+/m0/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL320943 (English)

CFMOEGAYJQXZMT-UQTJVAAQSA-N

3 October 2016

InChIKey

1 reference

CHEMBL320943 (English)

3 October 2016

1 reference

(3alpha,5beta,12alpha,17xi)-3-Hydroxy-21-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]pregnan-12-yl (2S)-2-methylbutanoate (English)

3 October 2016

1 reference

CHEMBL320943 (English)

3 October 2016

1 reference

Guide to Pharmacology Ligand ID

CHEMBL320943 (English)

3 October 2016

1 reference

3030

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3030

compound 9 [PMID: 7932551] (English)