(3β,12β)-3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-25-en-24-one

CAS Registry Number®

223710-06-3
No image available.

CAS Name

(3β,12β)-3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-25-en-24-one

Molecular Formula

C48H80O19

Molecular Mass

961.14

Cite this Page

(3β,12β)-3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-25-en-24-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=223710-06-3 (retrieved 2024-09-21) (CAS RN: 223710-06-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H80O19/c1-21(2)23(52)10-16-48(8,67-42-39(61)36(58)33(55)26(19-50)63-42)22-9-14-47(7)31(22)24(53)17-29-45(5)13-12-30(44(3,4)28(45)11-15-46(29,47)6)65-43-40(37(59)34(56)27(20-51)64-43)66-41-38(60)35(57)32(54)25(18-49)62-41/h22,24-43,49-51,53-61H,1,9-20H2,2-8H3/t22-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1

InChIKey

InChIKey=UWGVFBVJCVDUPT-WPCGKEKESA-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)=O)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](CO)[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(C(=C)C)CCC(OC1OC(CO)C(O)C(O)C1O)(C)C2CCC3(C)C2C(O)CC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(C)(C)C5CCC43C

Other Names for this Substance

  • Dammar-25-en-24-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-20-(β-D-glucopyranosyloxy)-12-hydroxy-, (3β,12β)-
  • (3β,12β)-3-[(2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-25-en-24-one
  • Ginsenoside III
  • Vinaginsenoside R20