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Solidagoic acid A
PHCD compound ID : 5710
Chemical Names :
Solidagoic acid A
Molecular Formula : C20H28O3
Molecular Weight : 316.203845
More Details :
Names & Synonyms: (4aR,7S,8R,8aR)-8-[2-(3-furyl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aR,7S,8R,8aR)-8-[2-(3-furanyl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aR,7S,8R,8aR)-8-[2-(furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aR,7S,8R,8aR)-8-[2-(furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid
Smiles: C[C@H]1CC[C@]2([C@@H]([C@]1(C)CCc1ccoc1)CCC=C2C)C(=O)O
InChi : InChI=1S/C20H28O3/c1-14-7-11-20(18(21)22)15(2)5-4-6-17(20)19(14,3)10-8-16-9-12-23-13-16/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17+,19+,20-/m0/s1
InChi Key : InChIKey=AVVOXUZRTCRDLA-GVXRKXQCSA-N
PubChem ID : 101306889
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 3 Ionization potential : 9.334437
Hydrogen bond donor count : 1 Electric dipole moment : 1.364
XLogP : 5.572 VDW volume : 322.33162
Molecular weight : 316.203845 HOMO-LUMO gap : 9.844000
Herb list :
Refrences & Litretures:
  
973.      Journal:'Phytochemistry'      Year:'2010'      Volume:'71'      Page:'104'      DOI:'10.1016/j.phytochem.2009.09.032'      Title:'Antibacterial clerodane diterpenes from Goldenrod (Solidago virgaurea)'
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