Gastrodin

CAS Registry Number®

62499-27-8

CAS Name

Gastrodin

Molecular Formula

C13H18O7

Molecular Mass

286.28

Cite this Page

Gastrodin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62499-27-8 (retrieved 2024-11-21) (CAS RN: 62499-27-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114-118 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1

InChIKey

InChIKey=PUQSUZTXKPLAPR-UJPOAAIJSA-N

SMILES

O([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=CC=C(CO)C=C2

Canonical SMILES

OCC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1

Other Names for this Substance

  • β-D-Glucopyranoside, 4-(hydroxymethyl)phenyl
  • 4-(Hydroxymethyl)phenyl β-D-glucopyranoside
  • Gastrodin
  • 4-(β-D-Glucopyranosyloxy)benzyl alcohol
  • 4-Hydroxybenzyl alcohol 4-O-β-D-glucopyranoside

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CAS INSIGHTSTM
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