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Substance Name: 3,7-Dihydroxy-22,23-methylenecholan-24-oic acid
RN: 89414-91-5
InChIKey: AIOMSMGXCLHTAM-NJKSIKMVSA-N

Molecular Formula

  • C27-H44-O4

Molecular Weight

  • 432.6406
 
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Names and Synonyms

Name of Substance

  • 3,7-Dihydroxy-22,23-methylenecholan-24-oic acid

Synonyms

  • 3,7-DmCOA
  • 3alpha,7beta-Dihydroxy-22,23-methylene-5beta-cholan-24-oic acid
  • Ethyl (2R-cis)-2-((3alpha,5alpha,7alpha,20R)-3,7-dihydroxypregnan-20-yl)cyclopropanecarboxylate
  • Ethyl 2-((3alpha,5alpha,7alpha,20R)-3,7-dihydroxypregnan-20-yl)cyclopropanecarboxylate (2R-cis)-

Systematic Name

  • Cyclopropanecarboxylic acid, 2-((3alpha,5alpha,7alpha,20R)-3,7-dihydroxypregnan-20-yl)-, ethyl ester, (2R-cis)-

Registry Numbers

CAS Registry Number

  • 89414-91-5

System Generated Number

  • 0089414915

Structure Descriptors

InChI

1S/C27H44O4/c1-5-31-25(30)19-14-18(19)15(2)20-6-7-21-24-22(9-11-27(20,21)4)26(3)10-8-17(28)12-16(26)13-23(24)29/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20-,21+,22+,23+,24+,26+,27-/m1/s1

InChIKey

AIOMSMGXCLHTAM-NJKSIKMVSA-N

Smiles

[C@H]1([C@@H](C1)C(=O)OCC)[C@@H](C)[C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4([C@H](C[C@@H]3O)C[C@@H](CC4)O)C)CC2)CC1)C