| SpectraBase Spectrum ID |
2yQDQ3mTRbB |
| Name |
4-Pentenal, 5-[3a-(1,4-dioxo-2-butenyl)-2,3,3a,4,7,7a-hexahydro-6,7-dimethyl-1-(2 -methylpropyl)-3-oxo-1H-isoindol-4-yl]-4-methyl-, [1S-[1.alpha.,3a.alpha.(E),4.beta.(E),7.beta.,7a.alpha.]]- |
| Alternate Name(s) |
(4E)-5-{(1S,3aS,4S,7S,7aR)-1-isobutyl-6,7-dimethyl-3-oxo-3a-[(2E)-4-oxo-2-butenoyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl}-4-methyl-4-pentenal
17,18-Didehydro-17,18-secoaspochalasin C |
| CAS Registry Number |
72363-44-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H33NO4 |
| InChI |
InChI=1S/C24H33NO4/c1-15(2)12-20-22-18(5)17(4)14-19(13-16(3)8-6-10-26)24(22,23(29)25-20)21(28)9-7-11-27/h7,9-11,13-15,18-20,22H,6,8,12H2,1-5H3,(H,25,29)/b9-7+,16-13+/t18-,19+,20+,22+,24-/m1/s1 |
| InChIKey |
XAGBTMVEDKOUIA-RZDNLEDFSA-N |
| Molecular Weight |
399.531 g/mol |
| SMILES |
N1[C@]([C@]2([C@@](C1=O)([C@](C=C([C@]2(C)[H])C)(\C=C\(CCC=O)C)[H])C(\C=C\C=O)=O)[H])(CC(C)C)[H] |
| SPLASH |
splash10-00r6-5903000000-0e0e47f3c3b32d541b10 |
| Source of Spectrum |
H-62-1523-0 |
| Wiley ID |
1369068 |
![4-Pentenal, 5-[3a-(1,4-dioxo-2-butenyl)-2,3,3a,4,7,7a-hexahydro-6,7-dimethyl-1-(2 -methylpropyl)-3-oxo-1H-isoindol-4-yl]-4-methyl-, [1S-[1.alpha.,3a.alpha.(E),4.beta.(E),7.beta.,7a.alpha.]]-](/api/spectrum/2yQDQ3mTRbB/structure.png?h=300&w=458 "4-Pentenal, 5-[3a-(1,4-dioxo-2-butenyl)-2,3,3a,4,7,7a-hexahydro-6,7-dimethyl-1-(2 -methylpropyl)-3-oxo-1H-isoindol-4-yl]-4-methyl-, [1S-[1.alpha.,3a.alpha.(E),4.beta.(E),7.beta.,7a.alpha.]]-")
