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ScientificNameLabel
Ferruginol
PHCD compound ID : 5427
Chemical Names :
Ferruginol
Molecular Formula : C20H30O1
Molecular Weight : 286.229666
More Details :
Names & Synonyms: (4bS,8aS)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol , (4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol , (4bS,8aS)-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+/m0/s1
InChi Key : InChIKey=QXNWVJOHUAQHLM-AZUAARDMSA-N
PubChem ID : 442027
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.560962
Hydrogen bond donor count : 1 Electric dipole moment : 1.699
XLogP : 6.803 VDW volume : 307.387626
Molecular weight : 286.229666 HOMO-LUMO gap : 8.945000
Herb list :
Refrences & Litretures:
  
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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