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ScientificNameLabel
Beta-aromadendrene
PHCD compound ID : 3315
Chemical Names :
Beta-aromadendrene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1aS,4aS,7R,7aS,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene , (1aS,4aS,7R,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene , (1aS,4aS,7R,7aS,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cycloprop[e]azulene
Smiles: C[C@@H]1CC[C@H]2[C@H]1[C@@H]1[C@@H](C1(C)C)CCC2=C
InChi : InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11-,12+,13+,14+/m1/s1
InChi Key : InChIKey=ITYNGVSTWVVPIC-DGTMBMJNSA-N
PubChem ID : 42608157
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.457681
Hydrogen bond donor count : 0 Electric dipole moment : 0.925
XLogP : 6.544 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.780000
Herb list :
Refrences & Litretures:
  
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
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