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delta7 sitosterol
PHCD compound ID : 5611
Chemical Names :
delta7 sitosterol
Molecular Formula : C29H50O1
Molecular Weight : 414.386166
More Details :
Names & Synonyms:
Smiles: CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[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/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChi Key : InChIKey=YSKVBPGQYRAUQO-UZSYLJJSSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.050619
Hydrogen bond donor count : 1 Electric dipole moment : 2.356
XLogP : 11.785 VDW volume : 466.867946
Molecular weight : 414.386166 HOMO-LUMO gap : 10.470000
Herb list :
Refrences & Litretures:
  
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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