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(-) -Zonarol

CAT: 0931-TN11514-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11514-02Size:50 mg
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CAS Number
110715-67-8
Target
Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
(-) -Zonarol is an antifungal agent and an isomer of Zonarol. It demonstrates diverse translational potential. Zonarol is a natural product associated with (-) -Yahazunol.
Smiles
C[C@@]12[C@@H](CC3=C(O)C=CC(O)=C3)C(=C)CC[C@]1(C(C)(C)CCC2)[H]
Molecular Formula
C21H30O2
Molecular Weight
314.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol

(+)-Zonarol has been reported in Dictyopteris undulata with data available.

CAS Number110715-67-8
PubChem CID11415776
IUPAC Name2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol
Molecular FormulaC21H30O2
Molecular Weight314.5
XLogP6.1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity455
SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC3=C(C=CC(=C3)O)O)(C)C
InChI
InChI=1S/C21H30O2/c1-14-6-9-19-20(2,3)10-5-11-21(19,4)17(14)13-15-12-16(22)7-8-18(15)23/h7-8,12,17,19,22-23H,1,5-6,9-11,13H2,2-4H3/t17-,19-,21+/m0/s1
InChIKey
CPXDKDFWEZFRKT-HFSMHLIXSA-N
Chemical Structure
2D Structure
2D structure of 2-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol
CAS: 110715-67-8
CID: 11415776
Formula: C21H30O2
MW: 314.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass314.224580195
Monoisotopic Mass314.224580195
Topological Polar Surface Area40.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19266318-01(-) -Zonarol

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