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Chemical structure of InteriotherinA

GC36320

InteriotherinA

Also known as (3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl) benzoate

Interiotherin A is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura interior

ChemicalCAS181701-06-4MW504.53FormulaC29H28O8
CAS number
181701-06-4
Molecular weight
504.53
Formula
C29H28O8
Solubility
Soluble in DMSO
InChIKey
MBGKPRSARHEFAG-UHFFFAOYSA-N
Catalogue number
GC36320
Brand
GLPBIO
Computed properties PubChem CID 177359 · XLogP 6.1 · TPSA 81.7 Ų · H-bond donors 0
XLogP
6.1
TPSA
81.7 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
37

SMILES CC1CC2=CC3=C(C(=C2C4=C(C5=C(C=C4C(C1C)OC(=O)C6=CC=CC=C6)OCO5)OC)OC)OCO3

Computed descriptors from PubChem (CID 177359), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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