(3β,12β)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside

CAS Registry Number®

226712-37-4

CAS Name

(3β,12β)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside

Molecular Formula

C47H80O17

Molecular Mass

917.13

Cite this Page

(3β,12β)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=226712-37-4 (retrieved 2024-11-22) (CAS RN: 226712-37-4).  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(8,64-41-38(58)35(55)33(53)26(19-48)60-41)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)62-42-39(36(56)34(54)27(20-49)61-42)63-40-37(57)32(52)25(51)21-59-40/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=GOHCSRAOXZPHFO-HUGMCNGHSA-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]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC5)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C5C(CCC54C)C(OC6OC(CO)C(O)C(O)C6O)(C)CCC=C(C)C)C2(C)C)C(OC7OCC(O)C(O)C7O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β)-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-β-D-xylopyranosyl-
  • (3β,12β)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-β-D-xylopyranosyl-β-D-glucopyranoside
  • Vinaginsenoside R16

CAS INSIGHTSTM
Targeted protein degrader structure, illustration