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ScientificNameLabel
Pacifigorgiol
PHCD compound ID : 3326
Chemical Names :
Pacifigorgiol isomer , Pacifigorgiol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1R,3aR,4S,5R)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
Smiles: CC(=C[C@@H]1[C@H](C)CC[C@H]2[C@]1(O)CC[C@H]2C)C
InChi : InChI=1S/C15H26O/c1-10(2)9-14-11(3)5-6-13-12(4)7-8-15(13,14)16/h9,11-14,16H,5-8H2,1-4H3/t11-,12-,13-,14-,15-/m1/s1
InChi Key : InChIKey=QGALFKRHZSPTEG-KJWHEZOQSA-N
PubChem ID : 91747130
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.164318
Hydrogen bond donor count : 1 Electric dipole moment : 2.088
XLogP : 4.159 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.526000
Herb list :
Refrences & Litretures:
  
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
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