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Substance Name: Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-7-oxo-5beta-cholan-24-oate
RN: 21059-40-5
InChIKey: JSTLLHLKEQTGOF-UHFFFAOYSA-N

Molecular Formula

  • C28-H44-O7

Molecular Weight

  • 492.649
 
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Names and Synonyms

Synonym

  • EINECS 244-183-7

Systematic Name

  • Methyl 3alpha-((ethoxycarbonyl)oxy)-12alpha-hydroxy-7-oxo-5beta-cholan-24-oate

Registry Numbers

CAS Registry Number

  • 21059-40-5

System Generated Number

  • 0021059405

Structure Descriptors

InChI

1S/C28H44O7/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/h16-21,23,25,30H,6-15H2,1-5H3

InChIKey

JSTLLHLKEQTGOF-UHFFFAOYSA-N

Smiles

C(=O)(OCC)O[C@@H]1C[C@@H]2[C@@]([C@@H]3C[C@@H]([C@@]4([C@@H]([C@@H]3C(C2)=O)CC[C@@H]4[C@@H](CCC(OC)=O)C)C)O)(CC1)C