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Substance Name: Urs-12-en-28-oic acid, 3-hydroxy-23-(sulfooxy)-,(3beta,4alpha)-
RN: 125343-13-7
InChIKey: KWWNVEIEHRUKAV-PQWKYGPVSA-N

Molecular Formula

  • C30-H48-O7-S

Molecular Weight

  • 552.7682
 
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Names and Synonyms

Synonym

  • Triterpenoid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 125343-13-7

System Generated Number

  • 0125343137

Structure Descriptors

InChI

1S/C30H48O7S/c1-18-9-14-30(25(32)33)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(31)27(4,17-37-38(34,35)36)21(26)10-13-29(22,28)6/h7,18-19,21-24,31H,8-17H2,1-6H3,(H,32,33)(H,34,35,36)/t18-,19+,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1

InChIKey

KWWNVEIEHRUKAV-PQWKYGPVSA-N

Smiles

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)COS(=O)(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O