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Solidagoic acid H
PHCD compound ID : 5717
Chemical Names :
Solidagoic acid H
Molecular Formula : C20H28O5
Molecular Weight : 348.193674
More Details :
Names & Synonyms: (4aS,7R,8R,8aS)-8-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-8-[2-(2-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-4,7,8-trimethyl-8-[2-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-8-[2-(2-hydroxy-5-keto-2H-furan-3-yl)ethyl]-4,7,8-trimethyl-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid
Smiles: O=C1O[C@H](C(=C1)CC[C@]1(C)[C@H](C)CC[C@@]2([C@H]1CCC=C2C)C(=O)O)O
InChi : InChI=1S/C20H28O5/c1-12-7-10-20(18(23)24)13(2)5-4-6-15(20)19(12,3)9-8-14-11-16(21)25-17(14)22/h5,11-12,15,17,22H,4,6-10H2,1-3H3,(H,23,24)/t12-,15+,17-,19-,20-/m1/s1
InChi Key : InChIKey=SGZSEXKHICPUPC-TWLIAFHSSA-N
PubChem ID : 46177934
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.661433
Hydrogen bond donor count : 2 Electric dipole moment : 6.178
XLogP : 4.372 VDW volume : 350.812074
Molecular weight : 348.193674 HOMO-LUMO gap : 8.991000
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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