(Q21547021)

3beta-[[(2-Carboxycyclohexyl)carbonyl]oxy]-11-oxoolean-12-en-30-oic acid (English)

14 October 2016

chemical formula

C₃₈H₅₆O₇

1 reference

3beta-[[(2-Carboxycyclohexyl)carbonyl]oxy]-11-oxoolean-12-en-30-oic acid (English)

20 November 2016

canonical SMILES

CC1(C2CCC3(C(C2(CCC1OC(=O)C4CCCCC4C(=O)O)C)C(=O)C=C5C3(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C

1 reference

3beta-[[(2-Carboxycyclohexyl)carbonyl]oxy]-11-oxoolean-12-en-30-oic acid (English)

20 November 2016

isomeric SMILES

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6CCCCC6C(=O)O)C)(C)C(=O)O

1 reference

3beta-[[(2-Carboxycyclohexyl)carbonyl]oxy]-11-oxoolean-12-en-30-oic acid (English)

InChI=1S/C38H56O7/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6/h20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44)/t22?,23?,25-,27-,28-,29+,34+,35-,36-,37+,38+/m0/s1

20 November 2016

Identifiers

InChI

1 reference

3beta-[[(2-Carboxycyclohexyl)carbonyl]oxy]-11-oxoolean-12-en-30-oic acid (English)

IPIHZIYZLLMCRF-ZTDUETTNSA-N

20 November 2016

InChIKey

1 reference

Global Substance Registration System

3beta-[[(2-Carboxycyclohexyl)carbonyl]oxy]-11-oxoolean-12-en-30-oic acid (English)

20 November 2016

1 reference

UNII

3F85I03NLO

cicloxolone (English)

20 November 2016

1 reference

Cicloxolone (English)

20 November 2016

1 reference

Global Substance Registration System

3beta-[[(2-Carboxycyclohexyl)carbonyl]oxy]-11-oxoolean-12-en-30-oic acid (English)

20 November 2016

1 reference

1 reference

UNII

3F85I03NLO

cicloxolone (English)