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epi- cubebol
PHCD compound ID : 5392
Chemical Names :
epi- cubebol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1S,4R,6S,7S,10R)-7-isopropyl-4,10-dimethyl-tricyclo[4.4.0.01,5]dec-8-en-4-ol , (1S,4R,6S,7S,10R)-4,10-dimethyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-8-enol , (1S,4R,6S,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-8-en-4-ol , (1S,4R,6S,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-8-en-4-ol , (1S,4R,6S,7S,10R)-4,10-dimethyl-7-propan-2-yl-tricyclo[4.4.0.01,5]dec-8-en-4-ol
Smiles: CC([C@H]1C=C[C@H]([C@@]23[C@@H]1[C@@H]2[C@](C)(O)CC3)C)C
InChi : InChI=1S/C15H24O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h5-6,9-13,16H,7-8H2,1-4H3/t10-,11-,12+,13-,14-,15+/m1/s1
InChi Key : InChIKey=LMCRYOCEDDKMQA-KYFQHEKYSA-N
PubChem ID : 91746497
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.378382
Hydrogen bond donor count : 1 Electric dipole moment : 1.783
XLogP : 4.554 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.686000
Herb list :
Refrences & Litretures:
  
889.      Journal:'Pharmacologyonline'      Year:'2018'      Volume:'1'      Page:'231'      DOI:''      Title:'Comparison of hormonal changes (NAA,IAA,GA3) of the composition of essential oil from Sambucus Ebulus leaf'
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