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PODOPHYLLIN

CAT: 0013-GTR19260071-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260071-01Size:25 mg
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Description
PODOPHYLLIN
CAS Number
9000-55-9
Purity
>98% (HPLC)
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Podophyllum (resin)

Podophyllin is a resin extracted from the roots of Podophyllum peltatum (American mandrake) and Podophyllum emodi, which contains numerous compounds, amongst which is podophyllin (as well as the drug [podophyllotoxin]). Podophyllin is the principal active component. Podophyllin arrests mitosis in metaphase.

CAS Number9000-55-9
PubChem CID11979494
IUPAC Namebis(8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid);bis(5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one)
Molecular FormulaC88H92O34
Molecular Weight1693.6
Topological Polar Surface Area433
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count34
Rotatable Bond Count20
Heavy Atom Count122
Formal Charge0
Complexity1240
SMILES
COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O.COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)C(=O)O
InChI
InChI=1S/2C22H24O9.2C22H22O8/c2*1-27-16-4-10(5-17(28-2)21(16)29-3)18-11-6-14-15(31-9-30-14)7-12(11)20(24)13(8-23)19(18)22(25)26;2*1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h2*4-7,13,18-20,23-24H,8-9H2,1-3H3,(H,25,26);2*4-7,13,18-20,23H,8-9H2,1-3H3
InChIKey
KOUZYZCESNTXJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Podophyllum (resin)
CAS: 9000-55-9
CID: 11979494
Formula: C88H92O34
MW: 1693.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1693.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count34
Rotatable Bond Count20
Exact Mass1692.5470000
Monoisotopic Mass1692.5470000
Topological Polar Surface Area433 Ų
Heavy Atom Count122
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count16
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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