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Substance Name: Methyl-3,7,12-trihydroxycholest-24-ene-26-oate
RN: 144210-47-9
InChIKey: SZDHRKMCESZUCV-WKGGVHHNSA-N

Molecular Formula

  • C28-H46-O5

Molecular Weight

  • 462.666
 
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Names and Synonyms

Name of Substance

  • Methyl-3,7,12-trihydroxycholest-24-ene-26-oate

Synonym

  • Methyl 3alpha,7alpha,12alpha-trihydroxy-5beta cholest-24-en-26-oate

Systematic Name

  • Cholest-24-en-26-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha,24E)-

Registry Numbers

CAS Registry Number

  • 144210-47-9

System Generated Number

  • 0144210479

Structure Descriptors

InChI

1S/C28H46O5/c1-16(7-6-8-17(2)26(32)33-5)20-9-10-21-25-22(15-24(31)28(20,21)4)27(3)12-11-19(29)13-18(27)14-23(25)30/h8,16,18-25,29-31H,6-7,9-15H2,1-5H3/b17-8+/t16-,18+,19-,20-,21+,22+,23-,24+,25+,27+,28-/m1/s1

InChIKey

SZDHRKMCESZUCV-WKGGVHHNSA-N

Smiles

C1[C@H](C[C@H]2C[C@H]([C@H]3[C@@H]4CC[C@@H]([C@@H](CC\C=C(\C(=O)OC)C)C)[C@@]4(C)[C@H](C[C@H]3[C@@]2(C1)C)O)O)O