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ScientificNameLabel
Dammaradienyl acetate
PHCD compound ID : 564
Chemical Names :
Dammaradienyl acetate
Molecular Formula : C32H52O2
Molecular Weight : 468.396731
More Details :
Names & Synonyms: [4,4,8,10,14-pentamethyl-17-(5-methyl-1-methylene-hex-4-enyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate , acetic acid [4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester , [4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate , [4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate , acetic acid [4,4,8,10,14-pentamethyl-17-(5-methyl-1-methylene-hex-4-enyl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
Smiles: CC(=CCCC(=C)[C@H]1CC[C@@]2([C@H]1CC[C@@H]1[C@@]2(C)CC[C@@H]2[C@@]1(C)CC[C@H](C2(C)C)OC(=O)C)C)C
InChi : InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-31(8)25(24)13-14-27-30(7)18-17-28(34-23(4)33)29(5,6)26(30)16-20-32(27,31)9/h11,24-28H,3,10,12-20H2,1-2,4-9H3/t24-,25+,26+,27+,28-,30-,31-,32-/m1/s1
InChi Key : InChIKey=CRWQCIAHDTXLKB-WFTUJZDUSA-N
PubChem ID : 14137679
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.204805
Hydrogen bond donor count : 0 Electric dipole moment : 2.349
XLogP : 12.043 VDW volume : 522.273209
Molecular weight : 468.396731 HOMO-LUMO gap : 10.403000
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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