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Variculanol

CAT: 0013-GTR19232396-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232396-02Size:50 mg
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Description
Variculanol is a bioactive small molecule isolated from the marine fungus Aspergillus versicolor. It exhibits antimicrobial and anticancer properties in vitro and acts as an inhibitor of the hepatitis C virus NS3/4A protease, making it a compound of interest for infectious disease and oncology research.
CAS Number
135513-21-2
Field of Research
Infectious Disease & Virology
Smiles
CC12C (C (C (C) C) C (O) C1) CC=C (C) C3C (CCC (C) =CC2O) C (=C) CC3
Molecular Formula
C25H40O2
Molecular Weight
372.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,2R,3aS,4R,5E,8aR,11aR,12E,14aS)-1,2,3,3a,4,7,8,8a,9,10,11,11a,14,14a-tetradecahydro-3a,6,12-trimethyl-9-methylene-1-(1-methylethyl)-dicyclopenta[a,f]cyclododecene-2,4-diol
CAS Number135513-21-2
PubChem CID156588990
IUPAC Name(1R,2Z,5S,6R,7R,9S,10R,11Z,15R)-2,9,12-trimethyl-16-methylidene-6-propan-2-yltricyclo[13.3.0.05,9]octadeca-2,11-diene-7,10-diol
Molecular FormulaC25H40O2
Molecular Weight372.6
XLogP4.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity628
SMILES
C/C/1=C/[C@H]([C@]2(C[C@H]([C@@H]([C@@H]2C/C=C(\[C@@H]3CCC(=C)[C@@H]3CC1)/C)C(C)C)O)C)O
InChI
InChI=1S/C25H40O2/c1-15(2)24-21-12-9-18(5)20-11-8-17(4)19(20)10-7-16(3)13-23(27)25(21,6)14-22(24)26/h9,13,15,19-24,26-27H,4,7-8,10-12,14H2,1-3,5-6H3/b16-13-,18-9-/t19-,20-,21-,22+,23+,24+,25-/m0/s1
InChIKey
OHABHHQPUHXDEY-SFPIOVADSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R,3aS,4R,5E,8aR,11aR,12E,14aS)-1,2,3,3a,4,7,8,8a,9,10,11,11a,14,14a-tetradecahydro-3a,6,12-trimethyl-9-methylene-1-(1-methylethyl)-dicyclopenta[a,f]cyclododecene-2,4-diol
CAS: 135513-21-2
CID: 156588990
Formula: C25H40O2
MW: 372.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass372.302830514
Monoisotopic Mass372.302830514
Topological Polar Surface Area40.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N8520Variculanol
BIBR1107Variculanol Diacetate

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