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ScientificNameLabel
Incensole oxide
PHCD compound ID : 5515
Chemical Names :
Incensole oxide
Molecular Formula : C20H34O3
Molecular Weight : 322.250795
More Details :
Names & Synonyms: (8Z)-1-isopropyl-5,9,13-trimethyl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-en-12-ol , (8Z)-5,9,13-trimethyl-1-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-en-12-ol , (8Z)-5,9,13-trimethyl-1-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-en-12-ol
Smiles: C/C/1=C/CC[C@]2(C)O[C@H]2C[C@@]2(O[C@@]([C@H](CC1)O)(C)CC2)C(C)C
InChi : InChI=1S/C20H34O3/c1-14(2)20-12-11-18(4,23-20)16(21)9-8-15(3)7-6-10-19(5)17(13-20)22-19/h7,14,16-17,21H,6,8-13H2,1-5H3/b15-7-/t16-,17-,18-,19-,20+/m0/s1
InChi Key : InChIKey=ARTVDMKLQDTMGX-IBPPVPKYSA-N
PubChem ID : 90470329
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.373535
Hydrogen bond donor count : 1 Electric dipole moment : 2.282
XLogP : 3.772 VDW volume : 341.140997
Molecular weight : 322.250795 HOMO-LUMO gap : 10.512000
Herb list :
Refrences & Litretures:
  
924.      Journal:'Phytochemistry 66 (2005) 1499'      Year:'2005'      Volume:'66'      Page:'1499'      DOI:'10.1016/j.phytochem.2005.04.025'      Title:'A chemical investigation by headspace SPME and GC–MS of volatile and semi-volatile terpenes in various olibanum samples'
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