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Compound: 5546
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References: 992
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sterol
ScientificNameLabel
sterol
PHCD compound ID :
4165
Chemical Names :
sterol
Molecular Formula :
C17H28O1
Molecular Weight :
248.214016
More Details :
Names & Synonyms:
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Smiles:
O[C@@H]1CC[C@@H]2[C@H](C1)CC[C@@H]1[C@H]2CC[C@@H]2[C@H]1CCC2
InChi :
InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2/t11-,12+,13-,14-,15-,16+,17+/m1/s1
InChi Key :
InChIKey=FPXSXMFOYWRHDX-KEOCIWJQSA-N
PubChem ID :
1107
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
1
Ionization potential :
10.106617
Hydrogen bond donor count :
1
Electric dipole moment :
2.167
XLogP :
6.202
VDW volume :
261.952589
Molecular weight :
248.214016
HOMO-LUMO gap :
13.323000
Herb list :
Caper - Capparis spinosa - کبر، لگجی، علف مار، کور
Refrences & Litretures:
579. Journal:'Int J Diabetol Vasc Dis Res' Year:'2015' Volume:'3' Page:'99' DOI:'10.19070/2328-353X-1500020' Title:'Pharmacological Properties of Capparis spinosa Linn'
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