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Chemical structure of Paulownin

GC64886

Paulownin

Also known as (3R,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

Paulownin, a component?of?wood?of?Paulownia?tomentosa?Steud, is a constituent?of?medicinal?plants

ChemicalCAS13040-46-5MW370.35FormulaC20H18O7
CAS number
13040-46-5
Molecular weight
370.35
Formula
C20H18O7
Solubility
DMSO : 100 mg/mL (270·01 mM; Need ultrasonic)
InChIKey
CAQZFLPWHBKTTR-WNISUXOKSA-N
Catalogue number
GC64886
Brand
GLPBIO
Computed properties PubChem CID 3084131 · XLogP 1.6 · TPSA 75.6 Ų · H-bond donors 1
XLogP
1.6
TPSA
75.6 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
27

SMILES C1[C@@H]2[C@H](OC[C@@]2([C@H](O1)C3=CC4=C(C=C3)OCO4)O)C5=CC6=C(C=C5)OCO6

Computed descriptors from PubChem (CID 3084131), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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