Quinquenoside I

CAS Registry Number®

208764-50-5

CAS Name

Quinquenoside I

Molecular Formula

C52H86O19

Molecular Mass

1015.23

Cite this Page

Quinquenoside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=208764-50-5 (retrieved 2024-11-08) (CAS RN: 208764-50-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H86O19/c1-10-12-34(56)65-24-30-38(59)40(61)42(63)45(68-30)70-44-41(62)37(58)29(23-54)67-47(44)69-33-16-18-49(6)31(48(33,4)5)15-20-50(7)32(49)21-27(55)35-26(14-19-51(35,50)8)52(9,17-11-13-25(2)3)71-46-43(64)39(60)36(57)28(22-53)66-46/h10,12-13,26-33,35-47,53-55,57-64H,11,14-24H2,1-9H3/b12-10+/t26-,27+,28+,29+,30+,31-,32+,33-,35-,36+,37+,38+,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50+,51+,52-/m0/s1

InChIKey

InChIKey=BTRPYCUFCMLYGV-YRPJOIJRSA-N

SMILES

C[C@]12[C@@]3(C)[C@@]([C@@]([C@@](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)(CCC=C(C)C)C)(CC3)[H])([C@H](O)C[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](COC(/C=C/C)=O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC5)[H])[H])[H]

Canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C(CCC5(C)C4CC(O)C6C(CCC65C)C(OC7OC(CO)C(O)C(O)C7O)(C)CCC=C(C)C)C3(C)C)CO)C(O)C(O)C1O)C=CC

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β)-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-[6-O-[(2E)-1-oxo-2-butenyl]-β-D-glucopyranosyl]-
  • (3β,12β)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-[6-O-[(2E)-1-oxo-2-butenyl]-β-D-glucopyranosyl]-β-D-glucopyranoside
  • Quinquenoside I

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles