| SpectraBase Spectrum ID |
2H1Sk1Bzznt |
| Name |
2,5-Methano-1-benzoxepin-3,10-diol, 5-[(benzoyloxy)methyl]-2,3,4,5,5a,6,7,9a-octahydro-5a,8-dimethyl-, 3-acetate, [2S-(2.alpha.,3.beta.,5.alpha.,5a.beta.,9a.beta.,10S*)]- |
| Alternate Name(s) |
3.alpha.-acetoxy-14-(benzoyloxy)12.beta.-hydroxy-13-nortrichothec-9-ene
[(1R,2R,7R,9R,10R,12R)-10-(acetyloxy)-12-hydroxy-2,5-dimethyl-8-oxatricyclo[7.2.1.0(2,7)]dodec-5-en-1-yl]methyl benzoate |
| CAS Registry Number |
101933-70-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H28O6 |
| InChI |
InChI=1S/C23H28O6/c1-14-9-10-22(3)18(11-14)29-19-17(28-15(2)24)12-23(22,20(19)25)13-27-21(26)16-7-5-4-6-8-16/h4-8,11,17-20,25H,9-10,12-13H2,1-3H3/t17-,18-,19+,20+,22+,23+/m1/s1 |
| InChIKey |
APHDYVQQDFJAID-SZAWYWIZSA-N |
| Molecular Weight |
400.471 g/mol |
| SMILES |
O[C@]1([C@]2(O[C@]3([C@@]([C@@]1(C[C@]2(OC(=O)C)[H])COC(=O)c1ccccc1)(CCC(C)=C3)C)[H])[H])[H] |
| SPLASH |
splash10-0a4i-2900000000-9800651fdc6349bb16a3 |
| Source of Spectrum |
J-51-1947-27 |
| Wiley ID |
1369473 |
![2,5-Methano-1-benzoxepin-3,10-diol, 5-[(benzoyloxy)methyl]-2,3,4,5,5a,6,7,9a-octahydro-5a,8-dimethyl-, 3-acetate, [2S-(2.alpha.,3.beta.,5.alpha.,5a.beta.,9a.beta.,10S*)]-](/api/spectrum/2H1Sk1Bzznt/structure.png?h=300&w=458 "2,5-Methano-1-benzoxepin-3,10-diol, 5-[(benzoyloxy)methyl]-2,3,4,5,5a,6,7,9a-octahydro-5a,8-dimethyl-, 3-acetate, [2S-(2.alpha.,3.beta.,5.alpha.,5a.beta.,9a.beta.,10S*)]-")
