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Substance Name: Hederoside B
RN: 39776-12-0
InChIKey: CCDRPBGPIXPGRW-RNYXGUFRSA-N

Molecular Formula

  • C36-H58-O9

Molecular Weight

  • 634.8452
 
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Names and Synonyms

Results Name

  • Hederoside B

Synonyms

  • Hederagenin 3-O-beta-D-glucopyranoside
  • Vitalboside B

Systematic Name

  • Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-23-hydroxy-, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 39776-12-0

System Generated Number

  • 0039776120

Structure Descriptors

InChI

1S/C36H58O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(33(4,19-38)23(32)9-12-35(24,34)6)45-29-28(41)27(40)26(39)22(18-37)44-29/h7,21-29,37-41H,8-19H2,1-6H3,(H,42,43)/t21-,22+,23?,24?,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/m0/s1

InChIKey

CCDRPBGPIXPGRW-RNYXGUFRSA-N

Smiles

C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O