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Substance Name: Saniculoside D
RN: 100473-03-8
InChIKey: ZXUIFUHEUYNNOJ-DRLZTUHZSA-N

Molecular Formula

  • C47-H76-O20

Molecular Weight

  • 961.0974
 
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Names and Synonyms

Results Name

  • Saniculoside D

Synonym

  • Saniculoside D

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,15alpha,16alpha,22alpha)-15,16,22,28-tetrahydroxyolean-12-en-3-yl O-L-arabinopyranosyl-(1-2(or 1-3))-O-(D-glucopyranosyl-(1-3(or 1-2)))-

Registry Numbers

CAS Registry Number

  • 100473-03-8

System Generated Number

  • 0100473038

Structure Descriptors

InChI

1S/C47H76O20/c1-42(2)14-20-19-8-9-24-44(5)12-11-26(43(3,4)23(44)10-13-45(24,6)46(19,7)36(58)37(59)47(20,18-49)25(51)15-42)64-41-35(67-40-31(56)29(54)28(53)22(16-48)63-40)33(32(57)34(66-41)38(60)61)65-39-30(55)27(52)21(50)17-62-39/h8,20-37,39-41,48-59H,9-18H2,1-7H3,(H,60,61)/t20-,21-,22-,23?,24?,25+,26?,27?,28-,29+,30+,31-,32+,33+,34+,35-,36+,37-,39+,40+,41-,44+,45-,46+,47-/m1/s1

InChIKey

ZXUIFUHEUYNNOJ-DRLZTUHZSA-N

Smiles

CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CCC4[C@@]5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)C(O)[C@@H]7O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)C(C)(C)C5CC[C@@]34C)[C@H]2C1