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Solidagoic acid G
PHCD compound ID : 5716
Chemical Names :
Solidagoic acid G
Molecular Formula : C21H30O5
Molecular Weight : 362.209324
More Details :
Names & Synonyms: (4aS,7R,8R,8aS)-8-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-8-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-8-[2-(2-methoxy-5-oxidanylidene-2H-furan-4-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-8-[2-(5-keto-2-methoxy-2H-furan-4-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid
Smiles: CO[C@H]1C=C(C(=O)O1)CC[C@]1(C)[C@H](C)CC[C@@]2([C@H]1CCC=C2C)C(=O)O
InChi : InChI=1S/C21H30O5/c1-13-8-11-21(19(23)24)14(2)6-5-7-16(21)20(13,3)10-9-15-12-17(25-4)26-18(15)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,23,24)/t13-,16+,17-,20-,21-/m1/s1
InChi Key : InChIKey=ZSKQNYQQCWYYSU-VIUMCCPPSA-N
PubChem ID : 46177933
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 5 Ionization potential : 9.397601
Hydrogen bond donor count : 1 Electric dipole moment : 3.814
XLogP : 5.221 VDW volume : 368.108058
Molecular weight : 362.209324 HOMO-LUMO gap : 8.837000
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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