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Substance Name: Cussonoside B
RN: 30688-36-9
InChIKey: QDUNASUIHMLOJM-VYEWMGKISA-N

Note

  • Triterpene saponin from Cussonia barteri bark.

Molecular Weight

  • 927.127
 
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Names and Synonyms

Name of Substance

  • Cussonoside B

Synonym

  • Oleanolic acid 28-O-(rhamnopyranosyl(1-4)glucopyranosyl(1-6))glucopyranosyl ester

Systematic Name

  • Olean-12-en-28-oic acid, 3-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 30688-36-9

System Generated Number

  • 0030688369

Structure Descriptors

InChI

1S/C48H78O17/c1-22-30(51)32(53)35(56)40(61-22)64-38-25(20-49)62-39(37(58)34(38)55)60-21-26-31(52)33(54)36(57)41(63-26)65-42(59)48-17-15-43(2,3)19-24(48)23-9-10-28-45(6)13-12-29(50)44(4,5)27(45)11-14-47(28,8)46(23,7)16-18-48/h9,22,24-41,49-58H,10-21H2,1-8H3/t22-,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,45-,46+,47+,48-/m0/s1

InChIKey

QDUNASUIHMLOJM-VYEWMGKISA-N

Smiles

C1[C@H](O)C([C@@H]2CC[C@]3(C)[C@@H]([C@@]2(C)C1)CC=C1[C@H]2[C@@](CC[C@@]31C)(CCC(C2)(C)C)C(O[C@@H]1O[C@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)O)[C@@H](O)[C@@H]([C@H]1O)O)=O)(C)C