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(-) -Zonarol

CAT: 0013-GTR19266318-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266318-01Size:10 mg
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Description
(-) -Zonarol is an antifungal agent and an isomer of Zonarol. It demonstrates diverse translational potential. Zonarol is a natural product associated with (-) -Yahazunol.
CAS Number
110715-67-8
Field of Research
Infectious Disease & Virology
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
Storage Conditions
-20°C
Notes
For research use only.

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
Loading 3D structure...
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
HY-N15738(-) -Zonarol

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