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Substance Name: Bacopaside I
RN: 382148-47-2
UNII: 36B8WUA361
InChIKey: SKFWOYHZBNAJGA-YAOMZRCFSA-N

Note

  • Isolated from Bacopa monniera Wettst.

Molecular Formula

  • C46-H74-O20-S

Molecular Weight

  • 979.1366
 
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Names and Synonyms

Name of Substance

  • Bacopaside I

Synonyms

  • Bacopaside I
  • Bacopaside I (constituent of bacopa) [DSC]
  • Bacopaside I, (-)-
  • UNII-36B8WUA361

Registry Numbers

CAS Registry Number

  • 382148-47-2

FDA UNII

  • 36B8WUA361

System Generated Number

  • 0382148472

Structure Descriptors

InChI

1S/C46H74O20S/c1-21(2)14-22-16-59-46-19-45(20-60-46)23(37(46)44(22,7)54)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)64-40-36(66-38-33(52)30(49)25(15-47)62-38)35(24(48)17-58-40)65-39-34(53)32(51)31(50)26(63-39)18-61-67(55,56)57/h14,22-40,47-54H,8-13,15-20H2,1-7H3,(H,55,56,57)/t22-,23-,24+,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39+,40+,42+,43-,44+,45+,46-/m1/s1

InChIKey

SKFWOYHZBNAJGA-YAOMZRCFSA-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](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COS(=O)(=O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)C)C