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ScientificNameLabel
elemanolide 11(13)-dehydromelitensin beta-hydroxyisobutyrate
PHCD compound ID : 5606
Chemical Names :
elemanolide 11(13)-dehydromelitensin beta-hydroxyisobutyrate
Molecular Formula : C19H26O7
Molecular Weight : 366.167853
More Details :
Names & Synonyms:
Smiles: OC[C@H](C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC[C@@H]([C@H]2[C@H]2[C@@H]1C(=C)C(=O)O2)C=O)C
InChi : InChI=1S/C19H26O7/c1-9(7-20)17(23)25-12-6-19(3)13(22)5-4-11(8-21)15(19)16-14(12)10(2)18(24)26-16/h8-9,11-16,20,22H,2,4-7H2,1,3H3/t9-,11-,12+,13-,14-,15+,16-,19+/m1/s1
InChi Key : InChIKey=QHKFLOPPNVTPRH-KQIWLERVSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 10.245358
Hydrogen bond donor count : 2 Electric dipole moment : 5.267
XLogP : 0.388 VDW volume : 351.096543
Molecular weight : 366.167853 HOMO-LUMO gap : 9.537000
Herb list :
Refrences & Litretures:
  
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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