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Chemical structure of Demethylvestitol

GC76349

Demethylvestitol

Also known as 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol

Demethylvestitol is a isoflavan compound that can be found in Baoyuan Decoction, a traditional Chinese medicine formula

ChemicalCAS65332-45-8MW258.27FormulaC15H14O4
CAS number
65332-45-8
Molecular weight
258.27
Formula
C15H14O4
Solubility
DMSO： 66·67 mg/mL (258·14 mM; Need ultrasonic)
InChIKey
CJZBXHPHEBCWLV-UHFFFAOYSA-N
Catalogue number
GC76349
Brand
GLPBIO
Computed properties PubChem CID 585939 · XLogP 2.6 · TPSA 69.9 Ų · H-bond donors 3
XLogP
2.6
TPSA
69.9 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19

SMILES C1C(COC2=C1C=CC(=C2)O)C3=C(C=C(C=C3)O)O

Computed descriptors from PubChem (CID 585939), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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