Uralsaponin B

CAS Registry Number®

105038-43-5

CAS Name

Uralsaponin B

Molecular Formula

C42H62O16

Molecular Mass

822.93

Cite this Page

Uralsaponin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105038-43-5 (retrieved 2025-01-07) (CAS RN: 105038-43-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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)/t19-,21-,22-,23-,24-,25+,26-,27+,28-,29-,30-,31+,34+,35+,38+,39-,40-,41+,42+/m0/s1

InChIKey

InChIKey=KEIFOIQHFNUSQE-HDENPQJWSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)CC[C@@](C(O)=O)(C)C4)[H])=CC(=O)[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O[C@@H]7O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@@H](C(O)=O)O6)CC5)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2C(O)C(OC(C(=O)O)C2O)OC3CCC4(C)C5C(=O)C=C6C7CC(C(=O)O)(C)CCC7(C)CCC6(C)C5(C)CCC4C3(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 3-O-β-D-glucopyranuronosyl-
  • 30-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β,20β)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 3-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid
  • (+)-Uralsaponin B
  • Uralsaponin B

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