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Aphidicolin

CAT: 0926-BA162709-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BA162709-04Size:10 mg
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CAS Number
38966-21-1
MDL Number
MFCD00083214
Smiles
C[C@]12CC[C@H] ([C@@] ([C@@H]1CC[C@@H]3[C@@]24CC[C@@] ([C@H] (C3) C4) (CO) O) (C) CO) O
Molecular Formula
C20H34O4
Molecular Weight
338.48 g/mol
Controlled
No

Chemical Information

Aphidicolin

Aphidicolin is a tetracyclic diterpenoid that has an tetradecahydro-8,11a-methanocyclohepta[a]naphthalene skeleton with two hydroxymethyl substituents at positions 4 and 9, two methyl substituents at positions 4 and 11b and two hydroxy substituents at positions 3 and 9. An antibiotic with antiviral and antimitotical properties. Aphidicolin is a reversible inhibitor of eukaryotic nuclear DNA replication. It has a role as an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor, an antimicrobial agent, an antineoplastic agent, an antiviral drug, a DNA synthesis inhibitor, an antimitotic, an apoptosis inducer, a fungal metabolite and an Aspergillus metabolite.

CAS Number38966-21-1
PubChem CID457964
IUPAC Name(1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol
Molecular FormulaC20H34O4
Molecular Weight338.5
XLogP2.5
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity524
SMILES
C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O
InChI
InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
InChIKey
NOFOAYPPHIUXJR-APNQCZIXSA-N
Chemical Structure
2D Structure
2D structure of Aphidicolin
CAS: 38966-21-1
CID: 457964
Formula: C20H34O4
MW: 338.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.5
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass338.24570956
Monoisotopic Mass338.24570956
Topological Polar Surface Area80.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N6733-01Aphidicolin
TRC-A726260-1MG(+)-Aphidicolin
207059-01(+) -Aphidicolin

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