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Chemical structure of Heteroclitin D

GC38546

Heteroclitin D

Also known as (18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl) (E)-2-methylbut-2-enoate

Heteroclitin D is a lignin from Kadsura medicinal plants with anti-liqid peroxidation

ChemicalCAS140369-76-2MW482.52FormulaC27H30O8
CAS number
140369-76-2
Molecular weight
482.52
Formula
C27H30O8
Solubility
Soluble in DMSO
InChIKey
CGWKMZYZZCWGCK-NTUHNPAUSA-N
Catalogue number
GC38546
Brand
GLPBIO
Computed properties PubChem CID 139600354 · XLogP 4.1 · TPSA 89.5 Ų · H-bond donors 0
XLogP
4.1
TPSA
89.5 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
35

SMILES C/C=C(\C)/C(=O)OC1C(C(CC2=CC(=C(C(=O)C23COC4=C3C1=CC5=C4OCO5)OC)OC)C)C

Computed descriptors from PubChem (CID 139600354), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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