Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cholan-24-oic acid, 3-(acetyloxy)-12-bromo-11-hydroxy-, methyl ester, (3alpha,5beta)-
RN: 7751-11-3
InChIKey: HFBGLEUFDNBDEP-UFKWDMBXSA-N

Molecular Formula

  • C27-H43-Br-O5

Molecular Weight

  • 527.5357
 
* 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

Synonyms

  • 5beta-Cholanic acid, 12-bromo-3alpha,11-dihydroxy-, methyl ester, 3-acetate
  • Methyl 3-(acetyloxy)-12-bromo-11-hydroxycholan-24-oate (3alpha,5beta)-

Systematic Name

  • Cholan-24-oic acid, 3-(acetyloxy)-12-bromo-11-hydroxy-, methyl ester, (3alpha,5beta)-

Registry Numbers

CAS Registry Number

  • 7751-11-3

System Generated Number

  • 0007751113

Structure Descriptors

InChI

1S/C27H43BrO5/c1-15(6-11-22(30)32-5)20-9-10-21-19-8-7-17-14-18(33-16(2)29)12-13-26(17,3)23(19)24(31)25(28)27(20,21)4/h15,17-21,23-25,31H,6-14H2,1-5H3/t15-,17-,18-,19+,20-,21+,23-,24?,25?,26+,27-/m1/s1

InChIKey

HFBGLEUFDNBDEP-UFKWDMBXSA-N

Smiles

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(C([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)Br)C