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Chemical structure of Podophyllol

GC61195

Podophyllol

Also known as (5R,6R,7R,8R)-6,7-bis(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-ol

Podophyllol, a derivative of podophyllotoxin esters, has antitumor activity

ChemicalCAS78339-51-2MW418.44FormulaC22H26O8
CAS number
78339-51-2
Molecular weight
418.44
Formula
C22H26O8
InChIKey
HNOIIHCYJKCZRK-YJPXFSGGSA-N
Catalogue number
GC61195
Brand
GLPBIO
Computed properties PubChem CID 101661264 · XLogP 2 · TPSA 107 Ų · H-bond donors 3
XLogP
2
TPSA
107 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30

SMILES COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]([C@@H]([C@H](C3=CC4=C(C=C23)OCO4)O)CO)CO

Computed descriptors from PubChem (CID 101661264), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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