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Podophyllol

CAT: 0013-GTR19260070-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260070-03Size:100 mg
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Description
Podophyllol is a natural product
CAS Number
78339-51-2
Purity
>98% (HPLC)
Molecular Formula
C22H26O8
Molecular Weight
418.44
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Podophyllol
CAS Number78339-51-2
PubChem CID101661264
IUPAC Name(5R,6R,7R,8R)-6,7-bis(hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-5-ol
Molecular FormulaC22H26O8
Molecular Weight418.4
XLogP2
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity547
SMILES
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]([C@@H]([C@H](C3=CC4=C(C=C23)OCO4)O)CO)CO
InChI
InChI=1S/C22H26O8/c1-26-18-4-11(5-19(27-2)22(18)28-3)20-12-6-16-17(30-10-29-16)7-13(12)21(25)15(9-24)14(20)8-23/h4-7,14-15,20-21,23-25H,8-10H2,1-3H3/t14-,15-,20+,21-/m0/s1
InChIKey
HNOIIHCYJKCZRK-YJPXFSGGSA-N
Chemical Structure
2D Structure
2D structure of Podophyllol
CAS: 78339-51-2
CID: 101661264
Formula: C22H26O8
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass418.16276778
Monoisotopic Mass418.16276778
Topological Polar Surface Area107 Ų
Heavy Atom Count30
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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