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ScientificNameLabel
abietatriene
PHCD compound ID : 1284
Chemical Names :
abietatriene , Dehydroabietane
Molecular Formula : C20H30
Molecular Weight : 270.234751
More Details :
Names & Synonyms: (4aS,10aS)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene , (4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
Smiles: CC(c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCCC1(C)C)C
InChi : InChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1
InChi Key : InChIKey=QUUCYKKMFLJLFS-AZUAARDMSA-N
PubChem ID : 6432211
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.895121
Hydrogen bond donor count : 0 Electric dipole moment : 0.704
XLogP : 8.15 VDW volume : 298.597399
Molecular weight : 270.234751 HOMO-LUMO gap : 9.466000
Herb list :
Refrences & Litretures:
  
136.      Journal:'J. Essent. Oil Res'      Year:'2006'      Volume:'18'      Page:'164'      DOI:'10.1080/10412905.2006.9699055'      Title:'Essential Oil Composition of Lallemantia iberica Fisch. et C.A. Mey'
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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