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Coronarin E

CAT: 1299-RG-A261469-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261469-01Size:10 mg
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CAS Number
117591-81-8
Synonyms
3- ((E) -2- ((1S,4aS,8aS) -5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl) vinyl) furan
Molecular Formula
C20H28O
Molecular Weight
284.44
Product Name Synonym
3- ((E) -2- ((1S,4aS,8aS) -5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl) vinyl) furan

Chemical Information

Coronarin E

3-[(1E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethenyl]furan has been reported in Curcuma xanthorrhiza, Alpinia mutica, and other organisms with data available.

CAS Number117591-81-8
PubChem CID9971144
IUPAC Name3-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]furan
Molecular FormulaC20H28O
Molecular Weight284.4
XLogP6.2
Topological Polar Surface Area13.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity433
SMILES
C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2/C=C/C3=COC=C3)(C)C
InChI
InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1
InChIKey
QXVXYNOIXUIXBI-NDLVVHCESA-N
Chemical Structure
2D Structure
2D structure of Coronarin E
CAS: 117591-81-8
CID: 9971144
Formula: C20H28O
MW: 284.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass284.214015512
Monoisotopic Mass284.214015512
Topological Polar Surface Area13.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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