Skip Navigation Links
ScientificNameLabel
Delta7-Stigmasterol
PHCD compound ID : 3167
Chemical Names :
Delta7-Stigmasterol
Molecular Formula : C29H46O1
Molecular Weight : 410.354866
More Details :
Names & Synonyms: (3S,9S,10R,13R,14R,17R)-17-[(E,1R,4S)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Smiles: CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC=C2[C@]1(C)CC[C@@H](C2)O)C
InChi : InChI=1S/C29H46O/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/h8-11,19-21,23,25-27,30H,7,12-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1
InChi Key : InChIKey=OQMZNAMGEHIHNN-CIFIHVIMSA-N
PubChem ID : 12303924
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.376712
Hydrogen bond donor count : 1 Electric dipole moment : 2.667
XLogP : 10.068 VDW volume : 461.595029
Molecular weight : 410.354866 HOMO-LUMO gap : 8.923000
Herb list :
Refrences & Litretures:
  
436.      Journal:'Chemistry of Natural Compounds'      Year:'2013'      Volume:'49'      Page:'803'      DOI:'10.1007/s10600-013-0752-4'      Title:'INTRODUCING Pistacia khinjuk (KOLKHOUNG) FRUIT HULL OIL AS A VEGETABLE OIL WITH SPECIAL CHEMICAL COMPOSITION AND UNIQUE OXIDATIVE STABILITY'
516.      Journal:'Cogent Food & Agriculture'      Year:'2015'      Volume:'1'      Page:'1018779'      DOI:'10.1080/23311932.2015.1018779'      Title:'Proximate composition of seeds and seed oils from melon (Cucumis melo L.) cultivated in Bulgaria'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us