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allo-Aromadendrene oxide I
PHCD compound ID : 4538
Chemical Names :
allo-Aromadendrene oxide I
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 1,1,7-trimethylspiro[2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,2'-oxirane] , 1,1,7-trimethylspiro[2,3,4a,5,6,7,7a,7b-octahydro-1aH-cycloprop[e]azulene-4,2'-oxirane]
Smiles: C[C@H]1CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CC[C@@]12OC1
InChi : InChI=1S/C15H24O/c1-9-4-5-10-12(9)13-11(14(13,2)3)6-7-15(10)8-16-15/h9-13H,4-8H2,1-3H3/t9-,10+,11+,12+,13+,15+/m0/s1
InChi Key : InChIKey=XPGWKKLDFXNBPJ-FSTWUICMSA-N
PubChem ID : 528759
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.901079
Hydrogen bond donor count : 0 Electric dipole moment : 1.364
XLogP : 4.964 VDW volume : 227.36062
Molecular weight : 220.182715 HOMO-LUMO gap : 12.335000
Herb list :
Refrences & Litretures:
  
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
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