(2α,3β,21β)-2,3-Dihydroxyursa-9(11),12-diene-21,30-diyl bis[β-D-glucopyranoside]

CAS Registry Number®

1335200-71-9

CAS Name

(2α,3β,21β)-2,3-Dihydroxyursa-9(11),12-diene-21,30-diyl bis[β-D-glucopyranoside]

Molecular Formula

C42H68O14

Molecular Mass

796.98

Cite this Page

(2α,3β,21β)-2,3-Dihydroxyursa-9(11),12-diene-21,30-diyl bis[β-D-glucopyranoside].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1335200-71-9 (retrieved 2024-11-13) (CAS RN: 1335200-71-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H68O14/c1-19-20(18-53-36-33(50)31(48)29(46)24(16-43)55-36)23(54-37-34(51)32(49)30(47)25(17-44)56-37)15-39(4)12-13-41(6)21(28(19)39)8-9-27-40(5)14-22(45)35(52)38(2,3)26(40)10-11-42(27,41)7/h8-9,19-20,22-26,28-37,43-52H,10-18H2,1-7H3/t19-,20-,22+,23-,24+,25+,26-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37+,39-,40-,41+,42+/m0/s1

InChIKey

InChIKey=JOEPYBMXSPYIEP-ZBIJTGLSSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]4C)[H])=CC=C1[C@]7(C)[C@@](CC2)(C(C)(C)[C@@H](O)[C@H](O)C7)[H]

Canonical SMILES

OCC1OC(OCC2C(OC3OC(CO)C(O)C(O)C3O)CC4(C)CCC5(C(=CC=C6C7(C)CC(O)C(O)C(C)(C)C7CCC65C)C4C2C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (2α,3β,21β)-2,3-dihydroxyursa-9(11),12-diene-21,30-diyl bis-
  • (2α,3β,21β)-2,3-Dihydroxyursa-9(11),12-diene-21,30-diyl bis[β-D-glucopyranoside]
  • Clethroidoside H

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles