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Substance Name: 2,3-Secocholestan-2,3-dioic acid
RN: 1178-00-3
InChIKey: RCIKMGJXOLVLBU-DUSSVLROSA-N

Molecular Formula

  • C27-H46-O4

Molecular Weight

  • 434.6564
 
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Names and Synonyms

Name of Substance

  • 2,3-Secocholestan-2,3-dioic acid

Synonyms

  • 2,3-Seco-5alpha-cholestan-2,3-dioic acid
  • Seco-CDA

Systematic Name

  • 2,3-Secocholestane-2,3-dioic acid, (5beta)-

Registry Numbers

CAS Registry Number

  • 1178-00-3

System Generated Number

  • 0001178003

Structure Descriptors

InChI

1S/C27H46O4/c1-17(2)7-6-8-18(3)23-11-12-24-21-10-9-19(15-25(28)29)22(16-26(30)31-5)20(21)13-14-27(23,24)4/h17-24H,6-16H2,1-5H3,(H,28,29)/t18?,19-,20-,21+,22-,23?,24-,27+/m0/s1

InChIKey

RCIKMGJXOLVLBU-DUSSVLROSA-N

Smiles

CC(C)CCCC(C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]([C@@H]3CC(=O)OC)CC(=O)O)C