Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: (3alpha,5beta,7alpha,12beta)-3-(3-Carboxy-1-oxopropoxy)-7,12-dihydroxycholan-24-oic acid
RN: 94159-47-4
InChIKey: HCNXRYWFDFDKOR-LVLJDNOQSA-N

Molecular Formula

  • C28-H44-O8

Molecular Weight

  • 508.6476
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 303-227-6

Systematic Name

  • (3alpha,5beta,7alpha,12beta)-3-(3-Carboxy-1-oxopropoxy)-7,12-dihydroxycholan-24-oic acid

Registry Numbers

CAS Registry Number

  • 94159-47-4

System Generated Number

  • 0094159474

Structure Descriptors

InChI

1S/C28H44O8/c1-15(4-7-23(31)32)18-5-6-19-26-20(14-22(30)28(18,19)3)27(2)11-10-17(12-16(27)13-21(26)29)36-25(35)9-8-24(33)34/h15-22,26,29-30H,4-14H2,1-3H3,(H,31,32)(H,33,34)/t15-,16+,17-,18-,19+,20+,21-,22-,26+,27+,28-/m1/s1

InChIKey

HCNXRYWFDFDKOR-LVLJDNOQSA-N

Smiles

[C@]12([C@H]([C@H]3[C@@H]([C@@]4([C@H](C[C@H]3O)C[C@H](OC(=O)CCC(=O)O)CC4)C)C[C@H]1O)CC[C@@H]2[C@@H](CCC(=O)O)C)C