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ScientificNameLabel
Cryptomeridiol
PHCD compound ID : 1078
Chemical Names :
Cryptomeridiol
Molecular Formula : C15H28O2
Molecular Weight : 240.20893
More Details :
Names & Synonyms: (1R,4aR,7R,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-decalin-1-ol , (1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol , (1R,4aR,7R,8aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Smiles: CC([C@@H]1CC[C@@]2([C@@H](C1)[C@](C)(O)CCC2)C)(O)C
InChi : InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11-,12-,14-,15-/m1/s1
InChi Key : InChIKey=LKKDASYGWYYFIK-QHSBEEBCSA-N
PubChem ID : 165258
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.905229
Hydrogen bond donor count : 2 Electric dipole moment : 2.442
XLogP : 3.575 VDW volume : 260.863764
Molecular weight : 240.20893 HOMO-LUMO gap : 12.958000
Herb list :
Refrences & Litretures:
  
110.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'346'      DOI:'10.1080/0972060X.2013.813237'      Title:'Comparison of Essential Oil Composition in Dracocephalum moldavica in Greenhouse and Field'
123.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'1321'      DOI:'10.1080/0972060X.2015.1024445'      Title:'Chemical Composition of Essential Oils from Aerial Parts of Ferula gummosa (Apiaceae) in Jajarm Region, Iran Using Traditional Hydrodistillation and Solvent-Free Microwave Extraction Methods: A Comparative Approach'
605.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2494'      DOI:'10.1002/jsfa.6065'      Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
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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