Gypenoside LI

CAS Registry Number®

94987-10-7
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CAS Name

Gypenoside LI

Molecular Formula

C42H72O14

Molecular Mass

801.01

Cite this Page

Gypenoside LI.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94987-10-7 (retrieved 2024-07-08) (CAS RN: 94987-10-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-14-41(7)28(21)22(45)16-27-39(5)17-23(46)35(38(3,4)26(39)12-15-40(27,41)6)56-37-34(32(50)30(48)25(19-44)54-37)55-36-33(51)31(49)29(47)24(18-43)53-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23+,24+,25+,26-,27+,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,39-,40+,41+,42+/m0/s1

InChIKey

InChIKey=LTJZMSTVPKBWKB-XUYZQZLKSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@@]([C@](CCC=C(C)C)(C)O)(CC3)[H])([C@H](O)C[C@@]1([C@]4(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@H](O)C4)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3C(O)CC4(C)C(CCC5(C)C4CC(O)C6C(CCC65C)C(O)(C)CCC=C(C)C)C3(C)C)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (2α,3β,12β,20R)-2,12,20-trihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-
  • (2α,3β,12β,20R)-2,12,20-Trihydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Gypenoside LI