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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178743978Generated: October 23, 2026

4-O-Demethylisokadsurenin D

(1R)-7β-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6α-methyl-5β-allylbicyclo[3.2.1]oct-3-ene-2,8-dione · Bicyclo[3.2.1]oct-3-ene-2,8-dione, 7-(4-hydroxy-3-methoxyphenyl)-3-methoxy-6-methyl-5-(2-propenyl)-, [1R-(6-exo,7-endo)]- (9CI)

https://huagongshe.com/en/chemical/178743978

4-O-Demethylisokadsurenin D molecular structure

Identifiers & Physical Properties

CAS No.65527-31-3
Molecular formulaC20H22O5
Average molar mass342.4 g/mol
SMILESC=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(O)c(OC)c1)[C@H]2C
InChIKeyWDPDGHCWVZXPFP-NBSNSOTFSA-N

Chemical & Physical Properties

XLogP3.3
Topological polar surface area72.8
Hydrogen bond donors1
Hydrogen bond acceptors5
Rotatable bonds5
Heavy atoms25
Formal charge0
Complexity609
Boiling point519.687±50.00 °C(Press: 760.00 Torr)(predicted)
Density1.245±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
pKa (acidity coefficient)7.923±0.70(predicted)