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Amorpha-4,9-dien-2-ol
PHCD compound ID : 2148
Chemical Names :
Amorpha-4,9-dien-2-ol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (5R)-5-isopropyl-3,8-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-ol , (5R)-3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalen-1-ol
Smiles: CC1=C[C@@H]2[C@H]([C@@H](C1)O)C(=CC[C@@H]2C(C)C)C
InChi : InChI=1S/C15H24O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h5,7,9,12-16H,6,8H2,1-4H3/t12-,13+,14-,15-/m1/s1
InChi Key : InChIKey=STLBTFMCSOXEAQ-LXTVHRRPSA-N
PubChem ID : 91747869
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.149877
Hydrogen bond donor count : 1 Electric dipole moment : 1.757
XLogP : 3.601 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.410000
Herb list :
Refrences & Litretures:
  
255.      Journal:'chemija'      Year:'2009'      Volume:'20'      Page:'190'      DOI:''      Title:'Analysis of the chemical composition of fower essential oils from Arnica montana of Lithuanian origin'
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
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