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ScientificNameLabel
cembrene
PHCD compound ID : 2380
Chemical Names :
cembrene
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: (1E,3Z,6E,10E)-14-isopropyl-3,7,11-trimethyl-cyclotetradeca-1,3,6,10-tetraene , (1E,3Z,6E,10E)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene , (1E,3Z,6E,10E)-3,7,11-trimethyl-14-propan-2-yl-cyclotetradeca-1,3,6,10-tetraene
Smiles: C/C/1=C/CC/C(=C/C/C=C(\C=C\[C@H](CC1)C(C)C)/C)/C
InChi : InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11-/t20-/m1/s1
InChi Key : InChIKey=DMHADBQKVWXPPM-IDYDLPGUSA-N
PubChem ID : 6430770
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.674908
Hydrogen bond donor count : 0 Electric dipole moment : 1.276
XLogP : 8.26 VDW volume : 331.573858
Molecular weight : 272.250401 HOMO-LUMO gap : 9.292000
Herb list :
Refrences & Litretures:
  
264.      Journal:'J. Agric. Food Chem'      Year:'1990'      Volume:'38'      Page:'455'      DOI:''      Title:'Headspace Compounds from Flowers of Nicotiana tabacum and Related Species'
281.      Journal:'J. Bio. Env. Sci'      Year:'2016'      Volume:'8'      Page:'240'      DOI:''      Title:'Essential oil variation within and between Stachys inflata Benth. and Stachys lavandulifolia Vahl. populations from Iran'
284.      Journal:'International Journal of Pharmacognosy and Phytochemical Research'      Year:'2015'      Volume:'7'      Page:'673'      DOI:''      Title:'Chemical Composition of Essential Oil of Stachys lavandulifolia Vahl. From Iran'
442.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'270'      DOI:'10.1080/0972060X.2013.794020'      Title:'Iranian Rhus coriaria (sumac) Essential Oils Extraction'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
839.      Journal:'Russian Chemical Bulletin, International Edition'      Year:'2016'      Volume:'65'      Page:'1148'      DOI:'10.1007/s11172-016-1428-6'      Title:'The volatile constituent analysis of Digitalis nervosa Steud. & Hochst. ex Benth. from Iran'
897.      Journal:'Journal of Medicinal Plants and By-products'      Year:'2016'      Volume:'2'      Page:'159'      DOI:''      Title:'Essential Oils of Salvia hydrangea DC. ex Benth. from Kiasar-Hezarjarib regions, Iran-Impact of eEnvironmental Factors as Quality Determinants'
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