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 6-O-β-D-glucopyranosyl-

CAS Registry Number®

64703-87-3
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CAS Name

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 6-O-β-D-glucopyranosyl-

Molecular Formula

C27H42O17

Molecular Mass

638.61

Cite this Page

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 6-O-β-D-glucopyranosyl-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64703-87-3 (retrieved 2024-09-20) (CAS RN: 64703-87-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3/t11-,12-,14-,15-,16-,17-,18+,19+,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1

InChIKey

InChIKey=ZTHFWSGQXKJHJD-WWSDMLAVSA-N

SMILES

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C=3[C@]4([C@]5([C@](O5)([C@](CO)(O)[C@]4([C@H](OC(CC(C)C)=O)OC3)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1OC=C(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C4C5OC5C(O)(CO)C14)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 6-O-β-D-glucopyranosyl-
  • 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 6-O-β-D-glucopyranosyl-, [1aS-(1aα,1bβ,5β,5aβ,6β,6aα)]-
  • Oxireno[3,4]cyclopenta[1,2-c]pyran, β-D-glucopyranoside deriv.
  • Kanokoside C