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ScientificNameLabel
Isoincensole acetate
PHCD compound ID : 4506
Chemical Names :
Isoincensole acetate
Molecular Formula : C21H34O3
Molecular Weight : 334.250795
More Details :
Names & Synonyms: [(2S,5E,9E,12S)-12-isopropyl-1,9-dimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] acetate , acetic acid [(2S,5E,9E,12S)-1,9-dimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] ester , [(2S,5E,9E,12S)-1,9-dimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] acetate , [(2S,5E,9E,12S)-1,9-dimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] ethanoate , acetic acid [(2S,5E,9E,12S)-12-isopropyl-1,9-dimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] ester
Smiles: CC(=O)O[C@H]1CC/C=C/CC/C(=C/C[C@]2(O[C@]1(C)CC2)C(C)C)/C
InChi : InChI=1S/C21H34O3/c1-16(2)21-13-12-17(3)10-8-6-7-9-11-19(23-18(4)22)20(5,24-21)14-15-21/h6-7,12,16,19H,8-11,13-15H2,1-5H3/b7-6+,17-12+/t19-,20+,21+/m0/s1
InChi Key : InChIKey=JGYQPJGHMBZUTL-RWLANVBESA-N
PubChem ID : 6430771
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 3 Ionization potential : 8.919049
Hydrogen bond donor count : 0 Electric dipole moment : 2.051
XLogP : 5.254 VDW volume : 365.520522
Molecular weight : 334.250795 HOMO-LUMO gap : 10.153000
Herb list :
Refrences & Litretures:
  
666.      Journal:'Ann Chim'      Year:'2007'      Volume:'97'      Page:'837'      DOI:''      Title:'Chemical composition and antimicrobial activity of some oleogum resin essential oils from Boswellia spp. (Burseraceae)'
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