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ScientificNameLabel
Gamma-cadinol
PHCD compound ID : 5223
Chemical Names :
Gamma-cadinol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S,4R)-4-isopropyl-1,6-dimethyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ol , (1S,4R)-1,6-dimethyl-4-propan-2-yl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ol , (1S,4R)-1,6-dimethyl-4-propan-2-yl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ol
Smiles: CC1=CC[C@H]2[C@H](C1)[C@H](CC[C@]2(C)O)C(C)C
InChi : InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h5,10,12-14,16H,6-9H2,1-4H3/t12-,13-,14+,15+/m1/s1
InChi Key : InChIKey=INTCVZZCTDGTCB-KBXIAJHMSA-N
PubChem ID : 91753503
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.054974
Hydrogen bond donor count : 1 Electric dipole moment : 2.210
XLogP : 4.48 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.569000
Herb list :
Refrences & Litretures:
  
827.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'193'      DOI:'10.1080/10412905.2003.9712110'      Title:'Chemical Composition of the Essential Oils of Chenopodium botrys L. from Two Different Locations in Iran'
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