[(1aS,1bS,5S,5aS,6S,6aS)-1a,1b,5,5a,6,6a-Hexahydro-6-hydroxy-6-(hydroxymethyl)-5-(3-methyl-1-oxobutoxy)oxireno[3,4]cyclopenta[1,2-c]pyran-2-yl]methyl β-D-glucopyranoside

CAS Registry Number®

64703-85-1

CAS Name

[(1aS,1bS,5S,5aS,6S,6aS)-1a,1b,5,5a,6,6a-Hexahydro-6-hydroxy-6-(hydroxymethyl)-5-(3-methyl-1-oxobutoxy)oxireno[3,4]cyclopenta[1,2-c]pyran-2-yl]methyl β-D-glucopyranoside

Molecular Formula

C21H32O12

Molecular Mass

476.47

Cite this Page

[(1aS,1bS,5S,5aS,6S,6aS)-1a,1b,5,5a,6,6a-Hexahydro-6-hydroxy-6-(hydroxymethyl)-5-(3-methyl-1-oxobutoxy)oxireno[3,4]cyclopenta[1,2-c]pyran-2-yl]methyl β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64703-85-1 (retrieved 2024-11-22) (CAS RN: 64703-85-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H32O12/c1-8(2)3-11(24)32-19-13-12(17-18(33-17)21(13,28)7-23)9(5-29-19)6-30-20-16(27)15(26)14(25)10(4-22)31-20/h5,8,10,12-20,22-23,25-28H,3-4,6-7H2,1-2H3/t10-,12-,13-,14-,15+,16-,17+,18+,19+,20-,21-/m1/s1

InChIKey

InChIKey=CHSDMOZSQFIUGK-MZHNZBIYSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=2[C@]3([C@]4([C@](O4)([C@](CO)(O)[C@]3([C@H](OC(CC(C)C)=O)OC2)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C3C4OC4C(O)(CO)C13)CC(C)C

Other Names for this Substance

  • β-D-Glucopyranoside, [(1aS,1bS,5S,5aS,6S,6aS)-1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-6-(hydroxymethyl)-5-(3-methyl-1-oxobutoxy)oxireno[3,4]cyclopenta[1,2-c]pyran-2-yl]methyl
  • β-D-Glucopyranoside, [1a,1b,5,5a,6,6a-hexahydro-6-hydroxy-6-(hydroxymethyl)-5-(3-methyl-1-oxobutoxy)oxireno[3,4]cyclopenta[1,2-c]pyran-2-yl]methyl, [1aS-(1aα,1bβ,5β,5aβ,6β,6aα)]-
  • Oxireno[3,4]cyclopenta[1,2-c]pyran, β-D-glucopyranoside deriv.
  • [(1aS,1bS,5S,5aS,6S,6aS)-1a,1b,5,5a,6,6a-Hexahydro-6-hydroxy-6-(hydroxymethyl)-5-(3-methyl-1-oxobutoxy)oxireno[3,4]cyclopenta[1,2-c]pyran-2-yl]methyl β-D-glucopyranoside
  • Kanokoside A

CAS INSIGHTSTM
Targeted protein degrader structure, illustration