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ScientificNameLabel
Stigmast-5-en-3-ol
PHCD compound ID : 2841
Chemical Names :
Stigmast-5-en-3-ol
Molecular Formula : C29H50O1
Molecular Weight : 414.386166
More Details :
Names & Synonyms: 17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , 17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Smiles: CC[C@H](C(C)C)CC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@@]1(C)CC[C@@H](C2)O)C
InChi : InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21+,23+,24-,25+,26-,27-,28-,29+/m1/s1
InChi Key : InChIKey=KZJWDPNRJALLNS-HULIQACKSA-N
PubChem ID : 86821
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.269152
Hydrogen bond donor count : 1 Electric dipole moment : 2.428
XLogP : 11.595 VDW volume : 466.867946
Molecular weight : 414.386166 HOMO-LUMO gap : 10.484000
Herb list :
Refrences & Litretures:
  
346.      Journal:'African Journal of Biotechnology'      Year:'2008'      Volume:'7'      Page:'4364'      DOI:''      Title:'Composition and antimicrobial properties of essential oil of Foeniculum vulgare'
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