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ScientificNameLabel
farnesiferone A
PHCD compound ID : 3175
Chemical Names :
farnesiferone A
Molecular Formula : C24H28O4
Molecular Weight : 380.198759
More Details :
Names & Synonyms: 7-[[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylene-6-oxo-decalin-1-yl]methoxy]chromen-2-one , 7-[[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]methoxy]-1-benzopyran-2-one , 7-[[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]methoxy]chromen-2-one , 7-[[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxidanylidene-1,3,4,4a,7,8-hexahydronaphthalen-1-yl]methoxy]chromen-2-one , 7-[[(1S,4aS,8aR)-6-keto-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methoxy]coumarin
Smiles: C=C1CC[C@H]2[C@@]([C@H]1COc1ccc3c(c1)oc(=O)cc3)(C)CCC(=O)C2(C)C
InChi : InChI=1S/C24H28O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20H,1,5,9,11-12,14H2,2-4H3/t18-,20+,24-/m0/s1
InChi Key : InChIKey=PJXNPYBRJFKRPB-NRYAXDJKSA-N
PubChem ID : 14865890
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.152980
Hydrogen bond donor count : 0 Electric dipole moment : 6.483
XLogP : 3.503 VDW volume : 380.039951
Molecular weight : 380.198759 HOMO-LUMO gap : 8.174000
Herb list :
Refrences & Litretures:
  
440.      Journal:'Natural Product Research'      Year:'2014'      Volume:'717'      Page:'29'      DOI:'10.1080/14786419.2014.982650'      Title:'A new ester coumarin from Ferula Persica wild, indigenous to Iran'
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