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Solidagoic acid C
PHCD compound ID : 5712
Chemical Names :
Solidagoic acid C
Molecular Formula : C20H28O4
Molecular Weight : 332.198759
More Details :
Names & Synonyms: (4aS,7R,8R,8aS)-4,7,8-trimethyl-8-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-4,7,8-trimethyl-8-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-4,7,8-trimethyl-8-[2-(5-oxidanylidene-2H-furan-4-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-8-[2-(5-keto-2H-furan-4-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid
Smiles: O=C1OCC=C1CC[C@]1(C)[C@H](C)CC[C@@]2([C@H]1CCC=C2C)C(=O)O
InChi : InChI=1S/C20H28O4/c1-13-7-11-20(18(22)23)14(2)5-4-6-16(20)19(13,3)10-8-15-9-12-24-17(15)21/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,22,23)/t13-,16+,19-,20-/m1/s1
InChi Key : InChIKey=VZBIAQHLXQZJGZ-HCAQKZJRSA-N
PubChem ID : 101501878
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 9.555949
Hydrogen bond donor count : 1 Electric dipole moment : 4.570
XLogP : 5.171 VDW volume : 342.021847
Molecular weight : 332.198759 HOMO-LUMO gap : 9.219000
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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