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Substance Name: Olean-12-en-28-oic acid, 3-hydroxy-23-(sulfooxy)-,(3beta,4alpha)
RN: 125343-14-8
InChIKey: XBZYWSMVVKYHQN-MYPRUECHSA-N

Molecular Formula

  • C30-H48-O7-S

Molecular Weight

  • 552.7682
 
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Names and Synonyms

Synonym

  • Triterpenoid

Systematic Name

  • Olean-12-en-28-oic acid, 3-hydroxy-23-(sulfooxy)-,(3beta,4alpha)

Registry Numbers

CAS Registry Number

  • 125343-14-8

System Generated Number

  • 0125343148

Structure Descriptors

InChI

1S/C30H48O7S/c1-25(2)13-15-30(24(32)33)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(31)27(4,18-37-38(34,35)36)21(26)9-12-29(22,28)6/h7,20-23,31H,8-18H2,1-6H3,(H,32,33)(H,34,35,36)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

InChIKey

XBZYWSMVVKYHQN-MYPRUECHSA-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)COS(=O)(=O)O)O