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Aromadendrene oxide
PHCD compound ID : 1127
Chemical Names :
Aromadendrene oxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1aS,4aR,7aS,7bR)-1,1,7-trimethylspiro[2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,2'-oxirane] , (1aS,4aR,7aS,7bR)-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-VPLWTHEFSA-N
PubChem ID : 91753455
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.971377
Hydrogen bond donor count : 0 Electric dipole moment : 2.189
XLogP : 4.964 VDW volume : 227.36062
Molecular weight : 220.182715 HOMO-LUMO gap : 12.452000
Herb list :
Refrences & Litretures:
  
115.      Journal:'Asian Pac J Trop Biomed'      Year:'2015'      Volume:'5'      Page:'458'      DOI:''      Title:'Phytochemistry of the essential oil of Melissa officinalis L. growing wild in Morocco: Preventive approach against nosocomial infections'
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