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Substance Name: Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate
RN: 70779-09-8
InChIKey: YOFASZAQCBTMOW-YCHOJBIXSA-N

Molecular Formula

  • C28-H46-O6

Molecular Weight

  • 478.6654
 
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Names and Synonyms

Synonym

  • EINECS 274-885-9

Systematic Names

  • 5beta-Cholan-24-oic acid, 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-, methyl ester
  • Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-5beta-cholan-24-oate

Registry Numbers

CAS Registry Number

  • 70779-09-8

System Generated Number

  • 0070779098

Structure Descriptors

InChI

1S/C28H46O6/c1-6-33-26(31)34-19-13-14-27(3)18(15-19)8-9-20-22-11-10-21(17(2)7-12-25(30)32-5)28(22,4)24(29)16-23(20)27/h17-24,29H,6-16H2,1-5H3/t17-,18-,19-,20+,21-,22+,23+,24+,27+,28-/m1/s1

InChIKey

YOFASZAQCBTMOW-YCHOJBIXSA-N

Smiles

CCOC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)C