[(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside

CAS Registry Number®

53962-20-2

CAS Name

[(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside

Molecular Formula

C21H34O11

Molecular Mass

462.49

Cite this Page

[(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-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=53962-20-2 (retrieved 2024-12-23) (CAS RN: 53962-20-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3

InChIKey

InChIKey=BGDMXWQJUGENQP-UHFFFAOYSA-N

SMILES

O(C(CC(C)C)=O)C1C2C(C(COC3OC(CO)C(O)C(O)C3O)=CO1)CC(O)C2CO

Canonical SMILES

O=C(OC1OC=C(COC2OC(CO)C(O)C(O)C2O)C3CC(O)C(CO)C13)CC(C)C

Other Names for this Substance

  • β-D-Glucopyranoside, [(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl
  • β-D-Glucopyranoside, [1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl, [1S-(1α,4aα,6α,7α,7aα)]-
  • [(1S,4aS,6S,7S,7aS)-1,4a,5,6,7,7a-Hexahydro-6-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside
  • Patrinoside

CAS INSIGHTSTM
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