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Substance Name: Saniculoside B
RN: 100578-10-7
InChIKey: QEMHCTDQIZWXQJ-FEIQRRBRSA-N

Molecular Formula

  • C42-H68-O16

Molecular Weight

  • 828.983
 
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Names and Synonyms

Results Name

  • Saniculoside B

Synonym

  • Saniculoside B

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,15alpha,16alpha,22alpha)-15,16,22,28-tetrahydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-

Registry Numbers

CAS Registry Number

  • 100578-10-7

System Generated Number

  • 0100578107

Structure Descriptors

InChI

1S/C42H68O16/c1-37(2)14-19-18-8-9-22-39(5)12-11-24(38(3,4)21(39)10-13-40(22,6)41(18,7)32(51)33(52)42(19,17-44)23(45)15-37)56-36-31(28(49)27(48)30(57-36)34(53)54)58-35-29(50)26(47)25(46)20(16-43)55-35/h8,19-33,35-36,43-52H,9-17H2,1-7H3,(H,53,54)/t19-,20-,21?,22?,23-,24?,25-,26+,27+,28+,29-,30+,31-,32-,33+,35+,36-,39+,40-,41+,42-/m1/s1

InChIKey

QEMHCTDQIZWXQJ-FEIQRRBRSA-N

Smiles

O([C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)[C@@H]1CC[C@@]2([C@@H]3CC=C4[C@H]5CC(C[C@H]([C@@]5([C@H]([C@H]([C@@]4([C@@]3(CC[C@@H]2C1(C)C)C)C)O)O)CO)O)(C)C)C