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ScientificNameLabel
cis-Ferruginol
PHCD compound ID : 2713
Chemical Names :
cis-Ferruginol
Molecular Formula : C20H30O1
Molecular Weight : 286.229666
More Details :
Names & Synonyms: (4bS,8aR)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol , (4bS,8aR)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Smiles: CC(c1cc2CC[C@H]3[C@](c2cc1O)(C)CCCC3(C)C)C
InChi : InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3/t18-,20-/m1/s1
InChi Key : InChIKey=QXNWVJOHUAQHLM-UYAOXDASSA-N
PubChem ID : 91747538
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.469119
Hydrogen bond donor count : 1 Electric dipole moment : 1.668
XLogP : 6.803 VDW volume : 307.387626
Molecular weight : 286.229666 HOMO-LUMO gap : 8.876000
Herb list :
Refrences & Litretures:
  
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'
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