| SpectraBase Spectrum ID |
9yNJGpITv9l |
| Name |
3aH-Isoindole-3a-butanoic acid, 1,2,3,4,7,7a-hexahydro-4-(5-methoxy-2-methyl-5-oxo-1-pentenyl)-6,7-dimethyl-1-(2-methylpropyl)-.gamma.,3-dioxo-, methyl ester, [1S-[1.alpha.,3a.alpha.,4.beta.(E),7.beta.,7a.alpha.]]- |
| CAS Registry Number |
72363-46-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H39NO6 |
| InChI |
InChI=1S/C26H39NO6/c1-15(2)12-20-24-18(5)17(4)14-19(13-16(3)8-10-22(29)32-6)26(24,25(31)27-20)21(28)9-11-23(30)33-7/h13-15,18-20,24H,8-12H2,1-7H3,(H,27,31)/b16-13+/t18-,19+,20+,24+,26-/m1/s1 |
| InChIKey |
BIYKMHPFQSZNDC-TWPJWKHCSA-N |
| Molecular Weight |
461.599 g/mol |
| SMILES |
N1[C@]([C@]2([C@@](C1=O)([C@](C=C([C@]2(C)[H])C)(\C=C\(CCC(=O)OC)C)[H])C(=O)CCC(=O)OC)[H])(CC(C)C)[H] |
| SPLASH |
splash10-006t-3239000000-14f5dad6f42699b84e28 |
| Source of Spectrum |
H-62-1523-0 |
| Synonyms |
Dimethyl ester of 17,18-seco(aspochalasin a)-17,18-dioic acid
Methyl (4E)-5-[(1S,3aS,4S,7S,7aR)-1-isobutyl-3a-(4-methoxy-4-oxobutanoyl)-6,7-dimethyl-3-oxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl]-4-methyl-4-pentenoate |
| Wiley ID |
1390801 |
![3aH-Isoindole-3a-butanoic acid, 1,2,3,4,7,7a-hexahydro-4-(5-methoxy-2-methyl-5-oxo-1-pentenyl)-6,7-dimethyl-1-(2-methylpropyl)-.gamma.,3-dioxo-, methyl ester, [1S-[1.alpha.,3a.alpha.,4.beta.(E),7.beta.,7a.alpha.]]-](/api/spectrum/9yNJGpITv9l/structure.png?h=300&w=458 "3aH-Isoindole-3a-butanoic acid, 1,2,3,4,7,7a-hexahydro-4-(5-methoxy-2-methyl-5-oxo-1-pentenyl)-6,7-dimethyl-1-(2-methylpropyl)-.gamma.,3-dioxo-, methyl ester, [1S-[1.alpha.,3a.alpha.,4.beta.(E),7.beta.,7a.alpha.]]-")
