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Substance Name: Methyl 3alpha-acetoxy-13alpha-carbomethoxy-16-oxo-17-oxa-13,17-seco-7alpha,17-cyclo-5beta-androstane
RN: 74915-13-2
InChIKey: VMBXOXQCDZJGAS-UHFFFAOYSA-N

Note

  • Derived from chenodeoxycholic acid.

Molecular Weight

  • 392.489
 
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Names and Synonyms

Name of Substance

  • Methyl 3alpha-acetoxy-13alpha-carbomethoxy-16-oxo-17-oxa-13,17-seco-7alpha,17-cyclo-5beta-androstane

Synonym

  • 5,14-Epi-28,30-dinorquassinoid

Systematic Name

  • 4,20-Dinorpicrasane-13-carboxylic acid, 3-(acetyloxy)-16-oxo-, methyl ester, (3alpha,5beta,13beta,14alpha)-

Registry Numbers

CAS Registry Number

  • 74915-13-2

System Generated Number

  • 0074915132

Structure Descriptors

InChI

1S/C22H32O6/c1-12(23)27-14-5-7-21(2)13(9-14)10-17-19-15(21)6-8-22(3,20(25)26-4)16(19)11-18(24)28-17/h13-17,19H,5-11H2,1-4H3

InChIKey

VMBXOXQCDZJGAS-UHFFFAOYSA-N

Smiles

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