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Substance Name: Uralsaponin A
RN: 103000-77-7
InChIKey: LPLVUJXQOOQHMX-MOGLOQIBSA-N

Note

  • Isolated from root of Glycyrrhiza uralensis Fisch.

Molecular Weight

  • 822.936
 
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Names and Synonyms

Name of Substance

  • Uralsaponin A

Synonym

  • 3-Hydroxy-11 oxoolean-12-en-30-oic acid-3-O-glucuronopyranosyl-(1-2)glucuronopyranoside

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-

Registry Numbers

CAS Registry Number

  • 103000-77-7

System Generated Number

  • 0103000777

Structure Descriptors

InChI

1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1

InChIKey

LPLVUJXQOOQHMX-MOGLOQIBSA-N

Smiles

C1[C@](C[C@H]2C=3[C@@](C)(CC[C@@]2(C1)C)[C@]1(C)CC[C@@H]2[C@](C)([C@H]1C(C3)=O)CC[C@@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)C2(C)C)(C)C(=O)O