β-D-Glucopyranose, 1-[3-[(acetyloxy)methyl]-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylate]

CAS Registry Number®

119767-19-0
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CAS Name

β-D-Glucopyranose, 1-[3-[(acetyloxy)methyl]-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylate]

Molecular Formula

C29H30O13

Molecular Mass

586.54

Cite this Page

β-D-Glucopyranose, 1-[3-[(acetyloxy)methyl]-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119767-19-0 (retrieved 2024-06-26) (CAS RN: 119767-19-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-130 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C29H30O13/c1-13(31)38-11-16-6-15-8-19(36-2)20(37-3)9-17(15)23(14-4-5-18-21(7-14)40-12-39-18)24(16)28(35)42-29-27(34)26(33)25(32)22(10-30)41-29/h4-9,22,25-27,29-30,32-34H,10-12H2,1-3H3/t22-,25-,26+,27-,29+/m1/s1

InChIKey

InChIKey=KQSAUOPDQAYSSQ-GPXXLQEOSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)C2=C(C3=C(C=C2COC(C)=O)C=C(OC)C(OC)=C3)C=4C=C5C(=CC4)OCO5

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C=2C(C=3C=CC=4OCOC4C3)=C5C=C(OC)C(OC)=CC5=CC2COC(=O)C

Other Names for this Substance

  • β-D-Glucopyranose, 1-[3-[(acetyloxy)methyl]-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylate]
  • Phyllanthostatin A