(3β,12β,23E)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammara-23,25-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

CAS Registry Number®

196302-61-1
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CAS Name

(3β,12β,23E)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammara-23,25-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

Molecular Formula

C48H80O18

Molecular Mass

945.14

Cite this Page

(3β,12β,23E)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammara-23,25-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=196302-61-1 (retrieved 2024-09-19) (CAS RN: 196302-61-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H80O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h9-10,23-43,49-60H,1,11-21H2,2-8H3/b10-9+/t23-,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=WVXJFLAAYXXXHY-GYVYNZPKSA-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])(C[C@@H](O)[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)(C/C=C/C(C)=C)C)[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,12β,23E)-20-(β-D-glucopyranosyloxy)-12-hydroxydammara-23,25-dien-3-yl 2-O-β-D-glucopyranosyl-
  • (3β,12β,23E)-20-(β-D-Glucopyranosyloxy)-12-hydroxydammara-23,25-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
  • Quinquenoside L1