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ScientificNameLabel
Trans-Sesquisabinene hydrate
PHCD compound ID : 2948
Chemical Names :
Trans-Sesquisabinene hydrate
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S,4S)-1-(1,5-dimethylhex-4-enyl)-4-methyl-bicyclo[3.1.0]hexan-4-ol , (1S,4S)-4-methyl-1-(6-methylhept-5-en-2-yl)-4-bicyclo[3.1.0]hexanol , (1S,4S)-4-methyl-1-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-4-ol
Smiles: CC(=CCC[C@@H]([C@]12CC[C@]([C@@H]2C1)(C)O)C)C
InChi : InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,14-,15-/m0/s1
InChi Key : InChIKey=IRDFGGRWKUKANK-AJNGGQMLSA-N
PubChem ID : 6428444
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.105638
Hydrogen bond donor count : 1 Electric dipole moment : 1.677
XLogP : 4.683 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.565000
Herb list :
Refrences & Litretures:
  
373.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'191'      DOI:'10.1002/ffj.1780'      Title:'Comparison of chemical composition and antifungal activity of Curcuma longa L. leaf oils produced by different water distillation techniques'
380.      Journal:'Food and Chemical Toxicology'      Year:'2008'      Volume:'46'      Page:'3295'      DOI:'10.1016/j.fct.2008.07.017'      Title:'Chemistry, antioxidant and antimicrobial investigations on essential oil and oleoresins of Zingiber officinale'
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