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Cleroda-3,13(14)-dien-16,15:18,19-diolide
PHCD compound ID : 5719
Chemical Names :
Cleroda-3,13(14)-dien-16,15:18,19-diolide
Molecular Formula : C20H26O4
Molecular Weight : 330.183109
More Details :
Names & Synonyms:
Smiles: O=C1OCC=C1CC[C@]1(C)[C@H](C)CC[C@@]23[C@H]1CCC=C3C(=O)OC2
InChi : InChI=1S/C20H26O4/c1-13-6-10-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)9-7-14-8-11-23-17(14)21/h4,8,13,16H,3,5-7,9-12H2,1-2H3/t13-,16+,19-,20-/m1/s1
InChi Key : InChIKey=ZKUWHVKICYZVFY-HCAQKZJRSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.177423
Hydrogen bond donor count : 0 Electric dipole moment : 8.983
XLogP : 4.448 VDW volume : 329.665388
Molecular weight : 330.183109 HOMO-LUMO gap : 9.589000
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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