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ScientificNameLabel
Himachalol
PHCD compound ID : 1623
Chemical Names :
Himachalol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (4aR,5R,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-ol , (4aR,5R,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3H-benzocyclohepten-5-ol
Smiles: CC1=C[C@H]2[C@@H](CC1)[C@](C)(O)CCCC2(C)C
InChi : InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3/t12-,13+,15-/m1/s1
InChi Key : InChIKey=BBAMLNIPVMLTSQ-VNHYZAJKSA-N
PubChem ID : 121536
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.104018
Hydrogen bond donor count : 1 Electric dipole moment : 2.085
XLogP : 4.574 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.537000
Herb list :
Refrences & Litretures:
  
182.      Journal:'Biochemical Systematics and Ecology'      Year:'2003'      Volume:'31'      Page:'1033'      DOI:'10.1016/S0305-1978(03)00066-8'      Title:'Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania'
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
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