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Chemical structure of Interiorin

GC71952

Interiorin

Also known as [(1S,12R,13R,14R)-19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (E)-2-methylbut-2-enoate

Interiorin can be isolated from Kadsura heteroclita and has moderate anti-HIV activity with an EC50 value of 1·6 lg/mL

ChemicalCAS119139-55-8MW482.52FormulaC27H30O8
CAS number
119139-55-8
Molecular weight
482.52
Formula
C27H30O8
InChIKey
NACPYYYBTUKNNL-YQYGNINJSA-N
Catalogue number
GC71952
Brand
GLPBIO
Computed properties PubChem CID 163019810 · 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)O[C@@H]1[C@@H]([C@@H](CC2=CC(=O)C(=C([C@@]23COC4=C3C1=CC5=C4OCO5)OC)OC)C)C

Computed descriptors from PubChem (CID 163019810), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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