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Substance Name: Cucumarioside G2
RN: 139307-93-0
InChIKey: AEIBEFHHXWLIGX-BISPVDSBSA-M

Molecular Formula

  • C48-H74-O23-S.Na

Molecular Weight

  • 1073.14
 
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Names and Synonyms

Results Name

  • Cucumarioside G2

Synonym

  • Cucumarioside G2

Systematic Name

  • Pregna-7,20-dien-18-oic acid, 16-hydroxy-4,4,14,20-tetramethyl-3-((O-3-O-methyl-beta-D-xylopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-, gamma-lactone, monosodium salt, (3beta,5alpha,9beta,16beta)-

Registry Numbers

CAS Registry Number

  • 139307-93-0

System Generated Number

  • 0139307930

Molecular Formulas

Molecular Formula

  • C48-H74-O23-S.Na

Molecular Formula Fragments

  • C48-H74-O23-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C48H74O23S.Na/c1-20(2)30-24(50)17-47(7)23-9-10-28-45(4,5)29(12-14-46(28,6)22(23)11-15-48(30,47)44(57)58)67-43-39(32(52)27(19-64-43)71-72(59,60)61)70-41-35(55)34(54)37(21(3)65-41)68-42-36(56)38(31(51)26(18-49)66-42)69-40-33(53)25(62-8)13-16-63-40;/h9,11,15,21-22,24-43,49-56H,1,10,12-14,16-19H2,2-8H3,(H,57,58)(H,59,60,61);/q;+1/p-1/t21-,22+,24?,25+,26-,27-,28?,29?,30+,31-,32+,33-,34-,35-,36-,37-,38+,39-,40?,41?,42+,43?,46-,47?,48-;/m1./s1

InChIKey

AEIBEFHHXWLIGX-BISPVDSBSA-M

Smiles

[Na+].C[C@@]12C3=CC[C@@H]4C([C@@H](CC[C@@]4([C@H]3C=C[C@@]2([C@H]([C@@H](C1)O)C(=C)C)C(=O)O)C)O[C@@H]1[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](OC)CCO4)[C@H](O)[C@H](O3)CO)[C@H](O2)C)[C@@H](O)[C@H](OS([O-])(=O)=O)CO1)(C)C