Beta-acoradiene
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Formula: C15H24
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Molecular weight: 204.35
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Smiles: CC1CCC(C12CCC(=CC2)C)C(=C)C
Beta-acoradiene
Names
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Mycotoxin name: Beta-acoradiene
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First synonym: Beta-acoradiene
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Synonyms: beta-Acoradiene,28477-64-7,(1R,4S,5R)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene,.beta.-Acoradiene,(-)-beta- acoradiene,Acoradiene, (-)-beta-,DTXSID90601964,CHEBI:172925,(1R,4S,5R)-1,8-dimethyl-4-(1-methylethenyl)spiro[4.5]dec-7-ene
Identifiers / External links
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CAS: 28477-64-7
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PubChem CID: 20055537
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ChemSpiderID: 4475312
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Chemical Entities of Biological Interest (CHEBI): CHEBI:172925
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CompTox Chemicals Dashboard (DTXSID): DTXSID90601964
Structure
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Smiles: CC1CCC(C12CCC(=CC2)C)C(=C)C
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Isomeric smiles: C[C@@H]1CCC(C12CCC(=CC2)C)C(=C)C
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Inchi: InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14?,15?/m1/s1
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Inchikey: DVBSKQAFCDJNSL-WLYUNCDWSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H24
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Molecular weight: 204.35
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Monoisotopic mass: 204.187800766
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Fungi
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Fungi id Species 382 Cochliobolus sativus