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ScientificNameLabel
Deacetylforskolin
PHCD compound ID : 3257
Chemical Names :
Deacetylforskolin
Molecular Formula : C20H32O6
Molecular Weight : 368.219889
More Details :
Names & Synonyms: (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one , (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-1-one , (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one , (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-5,6,10,10b-tetrakis(oxidanyl)-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one
Smiles: C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](O)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)O)O
InChi : InChI=1S/C20H32O6/c1-7-17(4)10-12(22)20(25)18(5)11(21)8-9-16(2,3)14(18)13(23)15(24)19(20,6)26-17/h7,11,13-15,21,23-25H,1,8-10H2,2-6H3/t11-,13-,14-,15-,17-,18-,19+,20-/m0/s1
InChi Key : InChIKey=WPDITXOBNLYZHH-KAACEJSMSA-N
PubChem ID : 10044542
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.501922
Hydrogen bond donor count : 4 Electric dipole moment : 5.664
XLogP : 1.119 VDW volume : 364.875218
Molecular weight : 368.219889 HOMO-LUMO gap : 9.776000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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