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Substance Name: Uralsaponin B
RN: 105038-43-5
InChIKey: KEIFOIQHFNUSQE-UHFFFAOYSA-N

Note

  • Isolated from root of Glycyrrhiza uralensis Fisch.

Molecular Formula

  • C42-H62-O16

Molecular Weight

  • 822.936
 
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Names and Synonyms

Name of Substance

  • Uralsaponin B

Synonyms

  • (3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
  • 3 Hydroxy-11-oxoolean-12-en-30-oic acid-3-O-glucuronopyranosyl-(1-3)glucuronopyranoside

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 105038-43-5

System Generated Number

  • 0105038435

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)55-35-27(48)28(26(47)30(58-35)33(51)52)56-34-25(46)23(44)24(45)29(57-34)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)

InChIKey

KEIFOIQHFNUSQE-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H](O)[C@@H]([C@@H]([C@@H]1C(O)=O)O)O)O[C@@H]1[C@@H](O)[C@@H](O[C@@H]2C([C@@H]3CC[C@@]4(C)[C@@]5(C)CC[C@@]6(CC[C@@](C[C@@H]6C5=CC(=O)[C@@H]4[C@@]3(CC2)C)(C(O)=O)C)C)(C)C)O[C@@H](C(O)=O)[C@@H]1O