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Substance Name: Bacopaside II
RN: 382146-66-9
UNII: ZO6L404Y9T
InChIKey: WZWPYJOPCULCLQ-UOXCDNDQSA-N

Note

  • Isolated from Bacopa monniera Wettst.

Molecular Formula

  • C47-H76-O18

Molecular Weight

  • 929.0994
 
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Names and Synonyms

Name of Substance

  • Bacopaside II

Synonyms

  • Bacopaside II
  • Bacopaside II (constituent of bacopa) [DSC]
  • Bacopaside ii, (-)-
  • UNII-ZO6L404Y9T

Registry Numbers

CAS Registry Number

  • 382146-66-9

FDA UNII

  • ZO6L404Y9T

System Generated Number

  • 0382146669

Structure Descriptors

InChI

1S/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,44-,45+,46+,47-/m1/s1

InChIKey

WZWPYJOPCULCLQ-UOXCDNDQSA-N

Smiles

CC(=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)C)C