Gypenoside IX

CAS Registry Number®

80321-63-7
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CAS Name

Gypenoside IX

Molecular Formula

C47H80O17

Molecular Mass

917.13

Cite this Page

Gypenoside IX.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80321-63-7 (retrieved 2024-05-01) (CAS RN: 80321-63-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-60-40-37(56)32(51)25(50)20-59-40)23-11-16-46(7)31(23)24(49)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)33(52)26(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,44-,45+,46+,47-/m0/s1

InChIKey

InChIKey=ZTQSADJAYQOCDD-HUGMCNGHSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@@]([C@@](O[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@@H](O)[C@H](O)[C@H]4O)(CCC=C(C)C)C)(CC3)[H])([C@H](O)C[C@@]1([C@]6(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC6)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C5C(CCC54C)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)(C)CCC=C(C)C)C2(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-
  • Dammarane, β-D-glucopyranoside deriv.
  • (3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
  • Gynosaponin I
  • Gypenoside IX

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