sodium apocholate (Q25474147)

UNII-U2L03X5GY0 (English)

14 October 2016

chemical formula

C₂₄H₃₇NaO₄

1 reference

UNII-U2L03X5GY0 (English)

14 October 2016

canonical SMILES

CC(CCC(=O)[O-])C1CCC2=C3CCC4CC(CCC4(C3CC(C12C)O)C)O.[Na+]

1 reference

UNII-U2L03X5GY0 (English)

14 October 2016

isomeric SMILES

C[C@H](CCC(=O)[O-])[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C[C@@H]([C@]12C)O)C)O.[Na+]

1 reference

UNII-U2L03X5GY0 (English)

InChI=1S/C24H38O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-16,18,20-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,18-,20+,21+,23+,24-;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

UNII-U2L03X5GY0 (English)

GGYLZKVIYWFOEG-ZIEWEEOPSA-M

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-U2L03X5GY0 (English)

14 October 2016

1 reference

UNII

U2L03X5GY0

sodium apocholate (English)

14 October 2016

2 references

UNII-U2L03X5GY0 (English)

matched by identifier from

14 October 2016

InChIKey

GGYLZKVIYWFOEG-ZIEWEEOPSA-M

1 reference

0 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

U2L03X5GY0

sodium apocholate (English)