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ScientificNameLabel
Adian-5(10)-en-3a -ol
PHCD compound ID : 1746
Chemical Names :
Adian-5(10)-en-3a -ol
Molecular Formula : C30H50O1
Molecular Weight : 426.386166
More Details :
Names & Synonyms: (3R,3aR,5aR,5bR,9R,11bR,13aS,13bR)-3-isopropyl-3a,5a,8,8,11b,13a-hexamethyl-1,2,3,4,5,5b,6,7,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol , (3R,3aR,5aR,5bR,9R,11bR,13aS,13bR)-3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
Smiles: CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC[C@@]2([C@@H]1CCC1=C2CC[C@H](C1(C)C)O)C)C)C
InChi : InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h19-20,23-25,31H,9-18H2,1-8H3/t20-,23-,24+,25-,27-,28+,29+,30-/m1/s1
InChi Key : InChIKey=VNBJSUYXZGBVPM-UKNJYBOHSA-N
PubChem ID : 10812378
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.945213
Hydrogen bond donor count : 1 Electric dipole moment : 2.141
XLogP : 10.703 VDW volume : 471.807472
Molecular weight : 426.386166 HOMO-LUMO gap : 10.272000
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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