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Substance Name: beta-D-Glucopyranosiduronic acid, (3beta,22beta)-22-hydroxyolean-12-en-3-yl 2-O-beta-D-glucopyranosyl-
RN: 82793-02-0
InChIKey: PPWWANBMWAQXLQ-FZARMGOESA-N

Molecular Weight

  • 780.986
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 82793-02-0

System Generated Number

  • 0082793020

Structure Descriptors

InChI

1S/C42H68O13/c1-37(2)17-21-20-9-10-24-40(6)13-12-26(38(3,4)23(40)11-14-42(24,8)41(20,7)16-15-39(21,5)25(44)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51)55-35-31(49)28(46)27(45)22(19-43)52-35/h9,21-33,35-36,43-49H,10-19H2,1-8H3,(H,50,51)/t21-,22-,23?,24?,25+,26?,27-,28+,29+,30+,31-,32+,33-,35+,36-,39-,40+,41-,42-/m1/s1

InChIKey

PPWWANBMWAQXLQ-FZARMGOESA-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]2C1(C)C)C)C)C)O)(C)C)C