6-Isocyano-11-eudesmene; (4α,5α,6α,10β)-form

AlkaPlorer ID: AK302850

Synonym: Acanthellin 1

IUPAC Name: 4-isocyano-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

Structure

SMILES: [C-]#[N+]C1C(C(=C)C)CCC2(C)CCCC(C)C12

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InChI: InChI=1S/C16H25N/c1-11(2)13-8-10-16(4)9-6-7-12(3)14(16)15(13)17-5/h12-15H,1,6-10H2,2-4H3

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InChIKey: GENYSLRBRFXSJH-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 231.383

TPSA: 4.36

MolLogP: 4.7028900000000045

Number of H-Donors: 0

Number of H-Acceptors: 0

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information