4-Amino-11-gorgonene; (4α,6α)-form, 4-Isocyanide

AlkaPlorer ID: AK285506

Synonym: 4-Isocyano-11-gorgonene

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

Structure

SMILES: [C-]#[N+]C1(C)CCCC2(C)CCCC(C(=C)C)C21

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InChI: InChI=1S/C16H25N/c1-12(2)13-8-6-9-15(3)10-7-11-16(4,17-5)14(13)15/h13-14H,1,6-11H2,2-4H3

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InChIKey: TYEZDKLJICHYSG-UHFFFAOYSA-N

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Reference

CAS: 134781-18-3

Properties Information

Molecule Weight: 231.38299999999995

TPSA: 4.36

MolLogP: 4.846990000000004

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