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ScientificNameLabel
Stigmast-6-en-3-ol
PHCD compound ID : 3982
Chemical Names :
Stigmast-6-en-3-ol
Molecular Formula : C29H50O1
Molecular Weight : 414.386166
More Details :
Names & Synonyms: 17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , 17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-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]2C=C[C@@H]2[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/h10-11,19-27,30H,7-9,12-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1
InChi Key : InChIKey=NEWQKITUJNEGAS-XPQUBDHGSA-N
PubChem ID : 3532694
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.424211
Hydrogen bond donor count : 1 Electric dipole moment : 2.348
XLogP : 12.336 VDW volume : 466.867946
Molecular weight : 414.386166 HOMO-LUMO gap : 10.671000
Herb list :
Refrences & Litretures:
  
545.      Journal:'Plant Foods Hum Nutr'      Year:'2011'      Volume:'66'      Page:'261'      DOI:'10.1007/s11130-011-0248-y'      Title:'Comparative Study on the Chemical Composition, Antioxidant Properties and Hypoglycaemic Activities of Two Capsicum annuum L. Cultivars (Acuminatum small and Cerasiferum)'
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