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Substance Name: beta-D-Glucopyranosiduronic acid, (3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl
RN: 85889-27-6
InChIKey: DYFUVQSGLMQLRX-ALBXZGMBSA-N

Molecular Formula

  • C36-H56-O10

Molecular Weight

  • 648.8284
 
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Names and Synonyms

  • beta-D-Glucopyranosiduronic acid, (3beta,4alpha)-17-carboxy-23-hydroxy-28-norolean-12-en-3-yl

Registry Numbers

CAS Registry Number

  • 85889-27-6

System Generated Number

  • 0085889276

Structure Descriptors

InChI

1S/C36H56O10/c1-31(2)13-15-36(30(43)44)16-14-34(5)19(20(36)17-31)7-8-22-32(3)11-10-23(33(4,18-37)21(32)9-12-35(22,34)6)45-29-26(40)24(38)25(39)27(46-29)28(41)42/h7,20-27,29,37-40H,8-18H2,1-6H3,(H,41,42)(H,43,44)/t20-,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36-/m0/s1

InChIKey

DYFUVQSGLMQLRX-ALBXZGMBSA-N

Smiles

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=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)C(=O)O)O)O)O