Isoshyobunone

  • Identifiers

    CAS mumber
    21698-46-4

    Molecular formula
    C15H24O

    SMILES
    CC(C)[C@@H]1CC[C@@](C(=C(C)C)C1=O)(C)C=C

  • Properties

    XLogP3-AA
    4.9 Well soluble in BB, IPM, DEP

    Molecular weight
    220.35 g/mol

  • Synonyms

    • Isoshyobunone
    • (-)-Isoshyobunone
    • CHEBI:68150
    • (3S,6S)-3-ethenyl-3-methyl-6-propan-2-yl-2-propan-2-ylidenecyclohexan-1-one
    • 21698-46-4
    • CHEMBL1814554
    • YMIHAYABXZORPU-SWLSCSKDSA-N
    • DTXSID001317632
    • Q27136640
    • p-Menthan-3-one, 2-isopropylidene-1-vinyl-, (1S,4S)-
    • (3S,6S)-6-Isopropyl-3-methyl-2-(propan-2-ylidene)-3-vinylcyclohexanone
    • Cyclohexanone, 3-ethenyl-3-methyl-6-(1-methylethyl)-2-(1-methylethylidene)-, (3S,6S)-
    • Cyclohexanone, 3-ethenyl-3-methyl-6-(1-methylethyl)-2-(1-methylethylidene)-, (3S-trans)-
1 3

Botanical

Name CAS Botanical Proportion
Calamus (Italy) root 8015-79-0 Acorus calamus L., fam. Araceae 6.25%
Calamus (China) 1a leaf 8015-79-0 Acorus calamus L., fam. Araceae 0.64%
Calamus (China) 1b rhizome 8015-79-0 Acorus calamus L., fam. Araceae 0.08%
Calamus (Canada) root 8015-79-0 Acorus calamus L., fam. Araceae 9.9%
Calamus (Turkey) Acorus calamus L., fam. Araceae 13.0%