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ScientificNameLabel
(+)-nerolidol
PHCD compound ID : 1054
Chemical Names :
(+)-nerolidol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol , (3S,6Z)-3,7,11-trimethyl-3-dodeca-1,6,10-trienol
Smiles: C=C[C@](CC/C=C(\CCC=C(C)C)/C)(O)C
InChi : InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11-/t15-/m1/s1
InChi Key : InChIKey=FQTLCLSUCSAZDY-QKXCFHHRSA-N
PubChem ID : 5356544
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.204422
Hydrogen bond donor count : 1 Electric dipole moment : 2.099
XLogP : 4.29 VDW volume : 268.877079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.151000
Herb list :
Refrences & Litretures:
  
108.      Journal:'Journal of Medicinal Plants Studies'      Year:'2015'      Volume:'3'      Page:'61'      DOI:''      Title:'Changes in content and chemical composition of Dracocephalum moldavica L. essential oil at different harvest dates'
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