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Substance Name: Isochuanliansu
RN: 97871-44-8
InChIKey: GEHGAWHOBGXBGC-MIUHORAWSA-N

Molecular Formula

  • C30-H38-O11

Molecular Weight

  • 574.619
 
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Names and Synonyms

Name of Substance

  • Isochuanliansu

Systematic Name

  • 24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-21,23-epoxy-1,7,19-trihydroxy-4,8-dimethyl-11,15-dioxo-, cyclic 4,19-hemiacetal, (1alpha,3alpha,4beta,5alpha,7alpha,12alpha,13alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 97871-44-8

System Generated Number

  • 0097871448

Structure Descriptors

InChI

1S/C30H38O11/c1-13(31)40-21-10-20(35)30-12-39-26(37)28(21,4)18(30)9-19(34)29(5)23-17(33)8-16(15-6-7-38-11-15)27(23,3)25(41-14(2)32)22(36)24(29)30/h6-7,11,16,18-21,23-26,34-35,37H,8-10,12H2,1-5H3/t16-,18-,19+,20-,21+,23+,24-,25-,26?,27-,28?,29-,30+/m0/s1

InChIKey

GEHGAWHOBGXBGC-MIUHORAWSA-N

Smiles

C1[C@H]([C@@]2(C)[C@@H](OC[C@]3([C@H]1O)[C@H]2C[C@@H](O)[C@@]1([C@H]2[C@@](C)([C@@H](OC(=O)C)C([C@H]31)=O)[C@@H](CC2=O)c1ccoc1)C)O)OC(C)=O