Molecule structure of 4'-Demethyldeoxypodophyllotoxin (CAS NO.3590-93-0) :

IUPAC Name: (5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one 
Molecular Weight: 384.3793 g/mol
Molecular Formula: C₂₁H₂₀O₇ 
Density: 1.373 g/cm³ 
Boiling Point: 590.9 °C at 760 mmHg 
Flash Point: 211.8 °C
Molar Volume: 279.8 cm³
Polarizability: 38.8*10^-24 cm³
Surface Tension: 53.4 dyne/cm 
Enthalpy of Vaporization: 91.41 kJ/mol
Vapour Pressure: 1.46E-14 mmHg at 25 °C
XLogP3: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 7
Rotatable Bond Count: 3
Tautomer Count: 4
Exact Mass: 384.120903
MonoIsotopic Mass: 384.120903
Topological Polar Surface Area: 83.5
Heavy Atom Count: 28
Complexity: 583
Defined Atom StereoCenter Count: 3
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O
Isomeric SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
InChI: InChI=1S/C21H20O7/c1-24-16-5-11(6-17(25-2)20(16)22)18-13-7-15-14(27-9-28-15)4-10(13)3-12-8-26-21(23)19(12)18/h4-7,12,18-19,22H,3,8-9H2,1-2H3/t12-,18+,19-/m0/s1
InChIKey of 4'-Demethyldeoxypodophyllotoxin (CAS NO.3590-93-0) : RFDMNXDDRXVJTM-RQUSPXKASA-N

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

 4'-Demethyldeoxypodophyllotoxin (CAS NO.3590-93-0) is also called (5R)-5,5aα,6,8,8aβ,9-Hexahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6-one ; (5R,5aα)-5,8,8aβ,9-Tetrahydro-5β-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one ; (5R,5aα,8aβ)-5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one ; 4'-Demethyl-4-deoxypodophyllotoxin ; 7-Dehydroxy-4-demethylpodophyllotoxin .