Abiraterone beta-D-Glucuronide

Product Specifications

CAS Number

2307194-33-6

Synonyms

(3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol β-D-Glucuronide;

Hazard Statement

Suspected of damaging fertility or the unborn child.

Smiles

[H][C@@]12CC=C3C[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)CC[C@]3(C)[C@@]1([H])CC[C@@]5(C)[C@@]2([H])CC=C5C6=CC=CN=C6

Molecular Formula

C30H39NO7

Molecular Weight

525.63

InChI

InChI=1S/C30H39NO7/c1-29-11-9-18(37-28-25(34)23(32)24(33)26(38-28)27(35)36)14-17(29)5-6-19-21-8-7-20(16-4-3-13-31-15-16)30(21,2)12-10-22(19)29/h3-5,7,13,15,18-19,21-26,28,32-34H,6,8-12,14H2,1-2H3,(H,35,36)/t18-,19-,21-,22-,23-,24-,25+,26?,28+,29?,30?/m0/s1

Additionnal Information

IUPAC name: (2S,3S,4S,5R,6R)-6-(((3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid