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ScientificNameLabel
farnesiferone B
PHCD compound ID : 3176
Chemical Names :
farnesiferone B
Molecular Formula : C24H28O4
Molecular Weight : 380.198759
More Details :
Names & Synonyms:
Smiles: C/C(=C\COc1ccc2c(c1)oc(=O)cc2)/CC[C@H]1C(=C)CCC(=O)C1(C)C
InChi : InChI=1S/C24H28O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,20H,2,5-6,10-11,14H2,1,3-4H3/b16-13+/t20-/m0/s1
InChi Key : InChIKey=VHZQGVCQVGFURX-YFIXDKARSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.120990
Hydrogen bond donor count : 0 Electric dipole moment : 4.858
XLogP : 3.316 VDW volume : 389.759951
Molecular weight : 380.198759 HOMO-LUMO gap : 8.185000
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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