| SpectraBase Spectrum ID |
HV4x1KIdbvl |
| Name |
((5aR*,9S*,9aS*)-7-Butyl-9-methyl-2,5,5a,6,7,8,9,9a-octahydrooxepino[3,2-c]pyridin-9-yl)methyl 2-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H34N2O5 |
| InChI |
InChI=1S/C27H34N2O5/c1-4-5-13-28-16-20-10-8-9-14-33-24(20)27(3,17-28)18-34-26(32)21-11-6-7-12-22(21)29-23(30)15-19(2)25(29)31/h6-9,11-12,15,20,24H,4-5,10,13-14,16-18H2,1-3H3/t20-,24+,27+/m1/s1 |
| InChIKey |
RRTPQUPBFZPYCR-MHLNXUHPSA-N |
| Molecular Weight |
466.578 g/mol |
| SMILES |
C1(N(C(C(=C1)C)=O)c1c(C(OC[C@]2([C@@]3([C@@](CC=CCO3)([H])CN(C2)CCCC)[H])C)=O)cccc1)=O |
| SPLASH |
splash10-03di-0090000000-a1cdf08fab92175993d8 |
| Source of Spectrum |
F-66-7190-9f |
| Wiley ID |
1684428 |
![((5aR*,9S*,9aS*)-7-Butyl-9-methyl-2,5,5a,6,7,8,9,9a-octahydrooxepino[3,2-c]pyridin-9-yl)methyl 2-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate](/api/spectrum/HV4x1KIdbvl/structure.png?h=300&w=458 "((5aR*,9S*,9aS*)-7-Butyl-9-methyl-2,5,5a,6,7,8,9,9a-octahydrooxepino[3,2-c]pyridin-9-yl)methyl 2-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate")
