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Substance Name: Methyl 3alpha,7alpha-diacetoxy-12-oxo-5beta-cholanate
RN: 28535-81-1
UNII: 61WHO74ZK2
InChIKey: GVIZCQOBODPSLY-ZNYVGMLLSA-N

Molecular Formula

  • C29-H44-O7

Molecular Weight

  • 504.6596
 
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Names and Synonyms

Name of Substance

  • Methyl 3alpha,7alpha-diacetoxy-12-oxo-5beta-cholanate

Synonyms

  • EC 249-070-6
  • EINECS 249-070-6
  • UNII-61WHO74ZK2

Systematic Name

  • Methyl 3-alpha,7-alpha-diacetoxy-12-oxo-5-beta-cholan-24-oate

Registry Numbers

CAS Registry Number

  • 28535-81-1

FDA UNII

  • 61WHO74ZK2

System Generated Number

  • 0028535811

Structure Descriptors

InChI

1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24-,27+,28+,29-/m1/s1

InChIKey

GVIZCQOBODPSLY-ZNYVGMLLSA-N

Smiles

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