(-)-4′-Demethylepipodophyllotoxin

C₂₁H₂₀O₈CAS 6559-91-7400.38 g/mol

Open in Covalent MOL file

Alcohol Ester

Properties

Molecular formula: C₂₁H₂₀O₈
Molar mass: 400.38 g/mol
Exact mass: 400.1158 Da
Melting point: 228–230 °C
logP: 2.11Crippen estimate
Polar surface area: 103.7 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 3

Identifiers

CAS number

6559-91-7

SMILES

COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O

InChIKey

YVCVYCSAAZQOJI-JHQYFNNDSA-N

InChI

InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,5aR,8aR,9S)-
Epipodophyllotoxin, 4′-demethyl-
Furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5R-(5α,5aβ,8aα,9β)]-
(5R,5aR,8aR,9S)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
4′-Demethylepipodophyllotoxin
4′-O-Demethylepipodophyllotoxin

Work with (-)-4′-Demethylepipodophyllotoxin

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

4′-Demethylpodophyllotoxin40505-27-9

Elsewhere

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