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Substance Name: Methyl 3alpha-((ethoxycarbonyl)oxy)-7alpha,12alpha-dihydroxycholan-24-oate
RN: 83861-28-3
InChIKey: KIRFLCKWEBLZMD-QSGOJPERSA-N

Molecular Formula

  • C28-H46-O7

Molecular Weight

  • 494.6644
 
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Names and Synonyms

Synonym

  • EINECS 281-089-5

Systematic Name

  • Methyl 3alpha-((ethoxycarbonyl)oxy)-7alpha,12alpha-dihydroxycholan-24-oate

Registry Numbers

CAS Registry Number

  • 83861-28-3

System Generated Number

  • 0083861283

Structure Descriptors

InChI

1S/C28H46O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-23,25,29-30H,6-15H2,1-5H3/t16-,17?,18-,19-,20+,21+,22-,23+,25+,27+,28-/m1/s1

InChIKey

KIRFLCKWEBLZMD-QSGOJPERSA-N

Smiles

CCOC(=O)O[C@@H]1CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](CC2C1)O)CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)C