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Substance Name: Uralsaponin X
RN: 1616062-89-5
UNII: PF9RBL8YHN
InChIKey: CWRRYAWFDXCSDM-XTIAVVEZSA-N

Molecular Formula

  • C50-H74-O22

Molecular Weight

  • 1027.1126
 
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Names and Synonyms

Name of Substance

  • Uralsaponin X

Synonyms

  • 3beta-O-(alpha-L-Rhamnopyranosyl-(1->2)-beta-D-glucuronopyranosyl-(1->2)-beta-D-glucuronopyranosyl)-22beta-acetoxy-11-oxo-olean-12-en-30-oic acid
  • beta-D-Glucopyranosiduronic acid, (3beta,20beta,22beta)-22-(acetyloxy)-20-carboxy-11-oxo-30-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-o-beta-D-glucopyranuronosyl-(1->2)-
  • UNII-PF9RBL8YHN
  • Uralsaponin X

Registry Numbers

CAS Registry Number

  • 1616062-89-5

FDA UNII

  • PF9RBL8YHN

System Generated Number

  • 1616062895

Structure Descriptors

InChI

1S/C50H74O22/c1-19-27(53)28(54)33(59)41(66-19)71-37-32(58)30(56)35(40(62)63)70-43(37)72-36-31(57)29(55)34(39(60)61)69-42(36)68-25-11-12-48(7)24(45(25,3)4)10-13-50(9)38(48)23(52)16-21-22-17-46(5,44(64)65)18-26(67-20(2)51)47(22,6)14-15-49(21,50)8/h16,19,22,24-38,41-43,53-59H,10-15,17-18H2,1-9H3,(H,60,61)(H,62,63)(H,64,65)/t19-,22-,24-,25-,26+,27-,28+,29-,30-,31-,32-,33+,34-,35-,36+,37+,38+,41-,42+,43-,46+,47+,48-,49+,50+/m0/s1

InChIKey

CWRRYAWFDXCSDM-XTIAVVEZSA-N

Smiles

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5C(=O)C=C7[C@@H]8C[C@](C)(C[C@@H](OC(=O)C)[C@]8(C)CC[C@@]67C)C(=O)O)C4(C)C)C(=O)O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O