(3β)-20-(β-D-Glucopyranosyloxy)dammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

CAS Registry Number®

156012-92-9
No image available.

CAS Name

(3β)-20-(β-D-Glucopyranosyloxy)dammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular Formula

C48H82O17

Molecular Mass

931.15

Cite this Page

(3β)-20-(β-D-Glucopyranosyloxy)dammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=156012-92-9 (retrieved 2024-06-30) (CAS RN: 156012-92-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H82O17/c1-23(2)10-9-16-48(8,65-42-39(59)36(56)33(53)27(21-50)61-42)25-13-18-46(6)24(25)11-12-30-45(5)17-15-31(44(3,4)29(45)14-19-47(30,46)7)63-43-40(37(57)34(54)28(22-51)62-43)64-41-38(58)35(55)32(52)26(20-49)60-41/h10,24-43,49-59H,9,11-22H2,1-8H3/t24-,25+,26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,45+,46-,47-,48+/m1/s1

InChIKey

InChIKey=NJPDRQDELKMUTI-NIUQCDFYSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O[C@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@@H](CO)O4)CC3)[H])(CC[C@]6([C@@]2(C)CC[C@@]6([C@@](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)(CCC=C(C)C)C)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C(CCC5(C)C4CCC6C(CCC65C)C(OC7OC(CO)C(O)C(O)C7O)(C)CCC=C(C)C)C3(C)C)CO)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β)-20-(β-D-glucopyranosyloxy)dammar-24-en-3-yl 2-O-β-D-glucopyranosyl-
  • (3β)-20-(β-D-Glucopyranosyloxy)dammar-24-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Vinaginsenoside R3