Skip Navigation Links
ScientificNameLabel
Solidagoic acid D
PHCD compound ID : 5713
Chemical Names :
Solidagoic acid D
Molecular Formula : C25H34O6
Molecular Weight : 430.235539
More Details :
Names & Synonyms: (4aS,7R,8R,8aS)-7,8-dimethyl-4-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-8-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-7,8-dimethyl-4-[[(Z)-2-methyl-1-oxobut-2-enoxy]methyl]-8-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-7,8-dimethyl-4-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-8-[2-(5-oxo-2H-furan-4-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid , (4aS,7R,8R,8aS)-7,8-dimethyl-4-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-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]-7,8-dimethyl-4-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-1,2,5,6,7,8a-hexahydronaphthalene-4a-carboxylic acid
Smiles: C/C=C(\C(=O)OCC1=CCC[C@@H]2[C@]1(CC[C@H]([C@@]2(C)CCC1=CCOC1=O)C)C(=O)O)/C
InChi : InChI=1S/C25H34O6/c1-5-16(2)21(26)31-15-19-7-6-8-20-24(4,12-10-18-11-14-30-22(18)27)17(3)9-13-25(19,20)23(28)29/h5,7,11,17,20H,6,8-10,12-15H2,1-4H3,(H,28,29)/b16-5-/t17-,20+,24-,25-/m1/s1
InChi Key : InChIKey=OCFZXDSINAWITG-CVMQHBEBSA-N
PubChem ID : 46177930
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 6 Ionization potential : 9.858613
Hydrogen bond donor count : 1 Electric dipole moment : 5.418
XLogP : 5.449 VDW volume : 440.809306
Molecular weight : 430.235539 HOMO-LUMO gap : 9.480000
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)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us