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Substance Name: Ethyl 3,7,12-trioxo-5betacholan-24-oate
RN: 52718-49-7
InChIKey: JOLKBUSRBZYZEH-PYGYYAGESA-N

Molecular Formula

  • C26-H38-O5

Molecular Weight

  • 430.581
 
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Names and Synonyms

Synonym

  • EINECS 258-126-9

Systematic Name

  • Ethyl 3,7,12-trioxo-5betacholan-24-oate

Registry Numbers

CAS Registry Number

  • 52718-49-7

System Generated Number

  • 0052718497

Structure Descriptors

InChI

1S/C26H38O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-16,18-20,24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,24+,25+,26-/m1/s1

InChIKey

JOLKBUSRBZYZEH-PYGYYAGESA-N

Smiles

C1([C@@]2([C@H](CC[C@H]2[C@@H]2C(C[C@H]3[C@@](CCC(=O)C3)(C)[C@@H]2C1)=O)[C@@H](CCC(=O)OCC)C)C)=O