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ScientificNameLabel
salviadienol
PHCD compound ID : 4808
Chemical Names :
salviadienol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1R,3aS,4S)-1-isopropyl-3a-methyl-7-methylene-1,2,3,4,5,6-hexahydroazulen-4-ol , (1R,3aS,4S)-3a-methyl-7-methylene-1-propan-2-yl-1,2,3,4,5,6-hexahydroazulen-4-ol , (1R,3aS,4S)-3a-methyl-7-methylidene-1-propan-2-yl-1,2,3,4,5,6-hexahydroazulen-4-ol
Smiles: C=C1CC[C@@H]([C@@]2(C(=C1)[C@H](CC2)C(C)C)C)O
InChi : InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(12)9-11(3)5-6-14(15)16/h9-10,12,14,16H,3,5-8H2,1-2,4H3/t12-,14+,15+/m1/s1
InChi Key : InChIKey=JKYVXHLCMIJYEY-SNPRPXQTSA-N
PubChem ID : 91753726
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.254076
Hydrogen bond donor count : 1 Electric dipole moment : 1.082
XLogP : 3.636 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.013000
Herb list :
Refrences & Litretures:
  
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
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