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Substance Name: beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22,23-dihydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
RN: 82793-03-1
InChIKey: OKIHRVKXRCAJFQ-BFZUPASMSA-N

Molecular Weight

  • 796.985
 
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Names and Synonyms

  • beta-D-Glucopyranosiduronic acid, (3beta,4beta,22beta)-22,23-dihydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-

Registry Numbers

CAS Registry Number

  • 82793-03-1

System Generated Number

  • 0082793031

Structure Descriptors

InChI

1S/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22-,23?,24?,25+,26?,27-,28+,29-,30+,31-,32+,33-,35+,36-,38-,39+,40?,41-,42-/m1/s1

InChIKey

OKIHRVKXRCAJFQ-BFZUPASMSA-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(CC[C@@]4([C@@]3(CC[C@@H]2[C@@]1(CO)C)C)C)C)O)(C)C)C