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NEOSOLANIOL

CAS No.:
36519-25-2
Catalog Number:
AG00BY2K
Molecular Formula:
C19H26O8
Molecular Weight:
382.4049
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$237
- +
5mg
≥98%
1 week
United States
$779
- +
Product Description
Catalog Number:
AG00BY2K
Chemical Name:
NEOSOLANIOL
CAS Number:
36519-25-2
Molecular Formula:
C19H26O8
Molecular Weight:
382.4049
MDL Number:
MFCD16661260
IUPAC Name:
[(1S,2R,4S,7R,9R,10R,11S,12S)-11-acetyloxy-4,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
InChI:
InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19-/m0/s1
InChI Key:
TVZHDVCTOCZDNE-WVJYZQHISA-N
SMILES:
CC(=O)OC[C@]12C[C@H](O)C(=CC1O[C@H]1[C@@]3([C@]2(C)[C@H](OC(=O)C)[C@H]1O)CO3)C
UNII:
PLZ86LH7A6
Properties
Complexity:
719  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
382.163g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
382.409g/mol
Monoisotopic Mass:
382.163g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Literature
Title Journal
Role of Peptide YY3-36 and Glucose-Dependent Insulinotropic Polypeptide in Anorexia Induction by Trichothecences T-2 Toxin, HT-2 Toxin, Diacetoxyscirpenol, and Neosolaniol. Toxicological sciences : an official journal of the Society of Toxicology 20170901
A chemical screen for suppressors of the avrRpm1-RPM1-dependent hypersensitive cell death response in Arabidopsis thaliana. Planta 20100401
Metabolism and cytotoxic effects of T-2 toxin and its metabolites on human cells in primary culture. Toxicology 20090428
Structure-activity relationships of trichothecene toxins in an Arabidopsis thaliana leaf assay. Journal of agricultural and food chemistry 20070808
Properties