(3β,7β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

CAS Registry Number®

208764-54-9
No image available.

CAS Name

(3β,7β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular Formula

C54H90O24

Molecular Mass

1123.28

Cite this Page

(3β,7β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-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=208764-54-9 (retrieved 2024-09-21) (CAS RN: 208764-54-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H90O24/c1-22(2)10-9-13-53(7,78-48-44(70)40(66)37(63)28(75-48)21-71-46-42(68)38(64)34(60)25(18-55)72-46)23-11-15-52(6)33(23)24(58)16-30-51(5)14-12-32(50(3,4)29(51)17-31(59)54(30,52)8)76-49-45(41(67)36(62)27(20-57)74-49)77-47-43(69)39(65)35(61)26(19-56)73-47/h10,17,23-28,30-49,55-70H,9,11-16,18-21H2,1-8H3/t23-,24+,25+,26+,27+,28+,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53-,54-/m0/s1

InChIKey

InChIKey=SKOMPTIDEDWVJD-GVYXYICBSA-N

SMILES

C[C@]12[C@@]([C@]3(C)C(=C[C@@H]1O)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)(C[C@@H](O)[C@]6([C@@]2(C)CC[C@@]6([C@@](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)(CCC=C(C)C)C)[H])[H])[H]

Canonical SMILES

OCC1OC(OCC2OC(OC(C)(CCC=C(C)C)C3CCC4(C)C3C(O)CC5C6(C(=CC(O)C54C)C(C)(C)C(OC7OC(CO)C(O)C(O)C7OC8OC(CO)C(O)C(O)C8O)CC6)C)C(O)C(O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,7β,12β)-20-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,7β,12β)-20-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-7,12-dihydroxydammara-5,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Quinquenoside IV