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ScientificNameLabel
Isoincensole
PHCD compound ID : 4505
Chemical Names :
Isoincensole
Molecular Formula : C20H34O2
Molecular Weight : 306.25588
More Details :
Names & Synonyms: (5Z,9E)-12-isopropyl-1,5,9-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol , (5Z,9E)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
Smiles: C/C/1=C\C[C@@]2(CC[C@](O2)(C)[C@@H](CC/C(=C\CC1)/C)O)C(C)C
InChi : InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7-,17-11+/t18-,19-,20-/m1/s1
InChi Key : InChIKey=SSBZLMMXFQMHDP-PXXDWVFWSA-N
PubChem ID : 15559762
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.943189
Hydrogen bond donor count : 1 Electric dipole moment : 2.312
XLogP : 4.576 VDW volume : 342.07077
Molecular weight : 306.25588 HOMO-LUMO gap : 10.207000
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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