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Chemical structure of 3,4-O-Isopropylidene-shikimic acid

GC61859

3,4-O-Isopropylidene-shikimic acid

Also known as 7-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid

3,4-O-Isopropylidene-shikimicn acid is a natural product that can be isolated from the whole plants of Hypericum wightianum

ChemicalCAS183075-03-8MW214.22FormulaC10H14O5
CAS number
183075-03-8
Molecular weight
214.22
Formula
C10H14O5
Solubility
DMSO ： 100 mg/mL (466·81 mM; Need ultrasonic)
InChIKey
PILATNHSTHZMCA-UHFFFAOYSA-N
Catalogue number
GC61859
Brand
GLPBIO
Computed properties PubChem CID 71430783 · XLogP -0.2 · TPSA 76 Ų · H-bond donors 2
XLogP
-0.2
TPSA
76 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
15

SMILES CC1(OC2C=C(CC(C2O1)O)C(=O)O)C

Computed descriptors from PubChem (CID 71430783), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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