exemestane-17-O-glucuronide (Q27282797)

UNII-L742P1D49E (English)

14 October 2016

chemical formula

C₂₆H₃₄O₈

1 reference

UNII-L742P1D49E (English)

20 November 2016

canonical SMILES

CC12CCC3C(C1CCC2OC4C(C(C(C(O4)C(=O)O)O)O)O)CC(=C)C5=CC(=O)C=CC35C

1 reference

UNII-L742P1D49E (English)

20 November 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC(=C)C5=CC(=O)C=C[C@]35C

1 reference

UNII-L742P1D49E (English)

InChI=1S/C26H34O8/c1-12-10-14-15-4-5-18(33-24-21(30)19(28)20(29)22(34-24)23(31)32)26(15,3)9-7-16(14)25(2)8-6-13(27)11-17(12)25/h6,8,11,14-16,18-22,24,28-30H,1,4-5,7,9-10H2,2-3H3,(H,31,32)/t14-,15-,16-,18?,19-,20-,21+,22-,24+,25+,26-/m0/s1

20 November 2016

Identifiers

InChI

1 reference

UNII-L742P1D49E (English)

XCZFLDRSNZFAQL-PEZYTGDISA-N

20 November 2016

InChIKey

1 reference

UNII-L742P1D49E (English)

20 November 2016

1 reference

6-Methylene-3-oxoandrosta-1,4-dien-17-yl beta-D-glucopyranosiduronic acid (English)

20 November 2016

2 references

UNII-L742P1D49E (English)

matched by identifier from

20 November 2016

InChIKey

XCZFLDRSNZFAQL-PEZYTGDISA-N

1 reference

1 reference

Global Substance Registration System

UNII

L742P1D49E

exemestane-17-O-glucuronide (English)