CAS Registry Number®
62499-27-8
CAS Name
Gastrodin
Molecular Formula
C13H18O7
Molecular Mass
286.28
Compound Properties
-
Melting Point (1)
114-118 °C
Source(s)
- (1) Helferich, Burckhardt; Justus Liebigs Annalen der Chemie, (1934), 508, 192-205, CAplus
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
- 4-(β-D-Glucopyranosyl)-benzylalcohol
- Gastrodine
