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ScientificNameLabel
7-epi-sesquisabinene hydrate
PHCD compound ID : 5475
Chemical Names :
7-epi-sesquisabinene hydrate
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (2R,5R)-5-(1,5-dimethylhex-4-enyl)-2-methyl-bicyclo[3.1.0]hexan-2-ol , (2R,5R)-2-methyl-5-(6-methylhept-5-en-2-yl)-2-bicyclo[3.1.0]hexanol , (2R,5R)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol , (2R,5R)-2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-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-/m1/s1
InChi Key : InChIKey=IRDFGGRWKUKANK-KBUPBQIOSA-N
PubChem ID : 91666343
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.197221
Hydrogen bond donor count : 1 Electric dipole moment : 1.950
XLogP : 4.683 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.595000
Herb list :
Refrences & Litretures:
  
915.      Journal:'International Journal of Plant Science and Ecology'      Year:'2015'      Volume:'1'      Page:'138'      DOI:''      Title:'Essential Oil Composition of Marrubium vulgare L. Cultivated in Egypt'
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