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ScientificNameLabel
Pteron-14-en-7a -ol
PHCD compound ID : 1743
Chemical Names :
Pteron-14-en-7a -ol
Molecular Formula : C30H50O1
Molecular Weight : 426.386166
More Details :
Names & Synonyms: (3R,3aR,5bR,6R,7aS,11aS,11bR,13aS,13bR)-3-isopropyl-3a,5b,8,8,11a,13a-hexamethyl-1,2,3,4,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-6-ol , (3R,3aR,5bR,6R,7aS,11aS,11bR,13aS,13bR)-3a,5b,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrocyclopenta[a]chrysen-6-ol
Smiles: CC([C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]2(C)CC[C@H]2[C@@]1(C)[C@H](O)C[C@@H]1[C@]2(C)CCCC1(C)C)C
InChi : InChI=1S/C30H50O/c1-19(2)20-10-11-21-27(20,5)16-12-23-29(21,7)17-13-22-28(6)15-9-14-26(3,4)24(28)18-25(31)30(22,23)8/h12,19-22,24-25,31H,9-11,13-18H2,1-8H3/t20-,21-,22-,24+,25-,27-,28-,29+,30-/m1/s1
InChi Key : InChIKey=SDFCYGKVXWEYPS-LCQYWCBISA-N
PubChem ID : 10670137
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.829952
Hydrogen bond donor count : 1 Electric dipole moment : 1.760
XLogP : 11.254 VDW volume : 471.807472
Molecular weight : 426.386166 HOMO-LUMO gap : 10.484000
Herb list :
Refrences & Litretures:
  
196.      Journal:'Chem. Pharm. Bull'      Year:'1999'      Volume:'47'      Page:'543'      DOI:''      Title:'Fern Constituents: Six New Triterpenoid Alcohols from Adiantum capillus-veneris'
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