(3β,6α,12β)-6,12-Dihydroxydammar-24-ene-3,20-diyl bis[β-D-glucopyranoside]

CAS Registry Number®

177745-52-7
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CAS Name

(3β,6α,12β)-6,12-Dihydroxydammar-24-ene-3,20-diyl bis[β-D-glucopyranoside]

Molecular Formula

C42H72O14

Molecular Mass

801.01

Cite this Page

(3β,6α,12β)-6,12-Dihydroxydammar-24-ene-3,20-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=177745-52-7 (retrieved 2024-09-19) (CAS RN: 177745-52-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)54-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(38(3,4)35(39)23(46)17-41(26,40)7)55-36-33(51)31(49)29(47)24(18-43)53-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37-,39+,40+,41+,42-/m0/s1

InChIKey

InChIKey=AVTXSAWPGCSYFO-ZCHNTGFUSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@]([C@@H](O)C1)(C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC3)[H])(C[C@@H](O)[C@]5([C@@]2(C)CC[C@@]5([C@@](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)(CCC=C(C)C)C)[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CCC3(C)C4CC(O)C5C(CCC5(C)C4(C)CC(O)C3C2(C)C)C(OC6OC(CO)C(O)C(O)C6O)(C)CCC=C(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,6α,12β)-6,12-dihydroxydammar-24-ene-3,20-diyl bis-
  • (3β,6α,12β)-6,12-Dihydroxydammar-24-ene-3,20-diyl bis[β-D-glucopyranoside]
  • Ginsenoside Ia