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ScientificNameLabel
Oleanan-12-en-3-ol acetate
PHCD compound ID : 563
Chemical Names :
Oleanan-12-en-3-ol acetate
Molecular Formula : C32H52O2
Molecular Weight : 468.396731
More Details :
Names & Synonyms: (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate , acetic acid (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) ester , (4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) ethanoate
Smiles: CC(=O)O[C@H]1CC[C@@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@@H]2CC(C)(C)CC1)C)C)C
InChi : InChI=1S/C32H52O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10,23-26H,11-20H2,1-9H3/t23-,24+,25-,26+,29-,30-,31-,32-/m1/s1
InChi Key : InChIKey=UMRPOGLIBDXFNK-XBQVSBOWSA-N
PubChem ID : 345510
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.941556
Hydrogen bond donor count : 0 Electric dipole moment : 2.467
XLogP : 12.286 VDW volume : 512.553209
Molecular weight : 468.396731 HOMO-LUMO gap : 10.251000
Herb list :
Refrences & Litretures:
  
34.      Journal:'J Sci Food Agric'      Year:'2014'      Volume:'94'      Page:'2179'      DOI:'10.1002/jsfa.6533'      Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
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