methyl cholanate (Q27274609)

Cholanic acid methyl ester (English)

14 October 2016

chemical formula

C₂₅H₄₂O₂

1 reference

Cholanic acid methyl ester (English)

14 October 2016

canonical SMILES

CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

1 reference

Cholanic acid methyl ester (English)

14 October 2016

isomeric SMILES

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C

1 reference

Cholanic acid methyl ester (English)

InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3/t17-,18?,19+,20-,21+,22+,24+,25-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Cholanic acid methyl ester (English)

YHTRVWPOAJKWBV-OAFMNPBWSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Cholanic acid methyl ester (English)

14 October 2016

1 reference

UNII

BD7TMA0Z7Q

methyl cholanate (English)

14 October 2016

1 reference

Methyl (20R)-cholan-24-oate (English)

14 October 2016

2 references

Cholanic acid methyl ester (English)

matched by identifier from

14 October 2016

InChIKey

YHTRVWPOAJKWBV-OAFMNPBWSA-N

1 reference

2 references

Global Substance Registration System

UNII

BD7TMA0Z7Q

methyl cholanate (English)