| SpectraBase Compound ID | GhX2U5iYVYh |
|---|---|
| InChI | InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5- |
| InChIKey | GOENJWUGVSLZDQ-FQCPIAEUSA-N |
| Mol Weight | 335.4 g/mol |
| Molecular Formula | C18H25NO5 |
| Exact Mass | 335.173273 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DTQOxWCc1bR |
|---|---|
| Name | (1-([(2Z)-2-Methyl-2-butenoyl]oxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl (2E)-2-(hydroxymethyl)-2-butenoate |
| CAS Registry Number | 87340-27-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H25NO5 |
| InChI | InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5- |
| InChIKey | GOENJWUGVSLZDQ-FQCPIAEUSA-N |
| Molecular Weight | 335.400 g/mol |
| SMILES | OC\C(C(OCC1=CCN2CCC(OC(\C(=C/C)C)=O)C12)=O)=C\C |
| SPLASH | splash10-007c-8940000000-f0ef1bc99d22cf112879 |
| Source of Spectrum | B-36-1212-0 |
| Synonyms | (1-([(2E)-2-Methyl-2-butenoyl]oxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl (2E)-2-(hydroxymethyl)-2-butenoate 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2E)- 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2Z)- 6-Angelyl-9-sarracinylretronecine Alkaloid A Neo-triangularine Triangularine [1R-(1.alpha.,7a.beta.)]-[1-((Z)-2-Methyl-1-oxobut-2-enyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl ester of (Z)-2-hydroxymethylbut-2-enoic acid |
| Wiley ID | 1331666 |