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ScientificNameLabel
acora-3(10),14-diene
PHCD compound ID : 465
Chemical Names :
acora-3(10),14-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 1-isopropyl-8-methyl-4-methylene-spiro[4.5]dec-8-ene , 8-methyl-4-methylene-1-propan-2-ylspiro[4.5]dec-8-ene , 8-methyl-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene , 8-methyl-4-methylidene-1-propan-2-yl-spiro[4.5]dec-8-ene
Smiles: CC1=CC[C@@]2(CC1)C(=C)CC[C@@H]2C(C)C
InChi : InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,11,14H,4-6,8-10H2,1-3H3/t14-,15-/m1/s1
InChi Key : InChIKey=QZGRYPDXCBFNRS-HUUCEWRRSA-N
PubChem ID : 6429134
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.045595
Hydrogen bond donor count : 0 Electric dipole moment : 0.859
XLogP : 5.85 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.477000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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