Bicyclo[3.2.1]octane-1-carboxaldehyde, 2-[(3S,3aS,4S,7aR)-3-(β-D-glucopyranosyloxy)octahydro-4,7a-dimethyl-1-oxo-4-isobenzofuranyl]-6-hydroxy-6-(hydroxymethyl)-, (1R,2R,5R,6R)-

CAS Registry Number®

132242-50-3
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CAS Name

Bicyclo[3.2.1]octane-1-carboxaldehyde, 2-[(3S,3aS,4S,7aR)-3-(β-D-glucopyranosyloxy)octahydro-4,7a-dimethyl-1-oxo-4-isobenzofuranyl]-6-hydroxy-6-(hydroxymethyl)-, (1R,2R,5R,6R)-

Molecular Formula

C26H40O11

Molecular Mass

528.59

Cite this Page

Bicyclo[3.2.1]octane-1-carboxaldehyde, 2-[(3S,3aS,4S,7aR)-3-(β-D-glucopyranosyloxy)octahydro-4,7a-dimethyl-1-oxo-4-isobenzofuranyl]-6-hydroxy-6-(hydroxymethyl)-, (1R,2R,5R,6R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=132242-50-3 (retrieved 2024-09-19) (CAS RN: 132242-50-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H40O11/c1-23(15-5-4-13-8-25(15,11-28)10-26(13,34)12-29)6-3-7-24(2)19(23)21(37-22(24)33)36-20-18(32)17(31)16(30)14(9-27)35-20/h11,13-21,27,29-32,34H,3-10,12H2,1-2H3

InChIKey

InChIKey=RNCYPVVUMUQCQI-UHFFFAOYSA-N

SMILES

C(=O)C12C(CCC(C1)C(CO)(O)C2)C3(C)C4C(OC5OC(CO)C(O)C(O)C5O)OC(=O)C4(C)CCC3

Canonical SMILES

O=CC12CC(CCC1C3(C)CCCC4(C(=O)OC(OC5OC(CO)C(O)C(O)C5O)C43)C)C(O)(CO)C2

Other Names for this Substance

  • Bicyclo[3.2.1]octane-1-carboxaldehyde, 2-[(3S,3aS,4S,7aR)-3-(β-D-glucopyranosyloxy)octahydro-4,7a-dimethyl-1-oxo-4-isobenzofuranyl]-6-hydroxy-6-(hydroxymethyl)-, (1R,2R,5R,6R)-
  • Bicyclo[3.2.1]octane-1-carboxaldehyde, 2-[3-(β-D-glucopyranosyloxy)octahydro-4,7a-dimethyl-1-oxo-4-isobenzofuranyl]-6-hydroxy-6-(hydroxymethyl)-, [3S-[3α,3aα,4α(1S*,2S*,5S*,6S*),7aα]]-
  • Coccinin