| SpectraBase Compound ID | 3hP9jZv9BAm |
|---|---|
| InChI | InChI=1S/C18H27NO5/c1-10-9-13(23-16(10)21)12-5-6-14-18(7-3-4-8-19(12)14)15(20)11(2)17(22)24-18/h10-15,20H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15+,18-/m0/s1 |
| InChIKey | UWDIPKSFCOQITE-PDKNDOMISA-N |
| Mol Weight | 337.42 g/mol |
| Molecular Formula | C18H27NO5 |
| Exact Mass | 337.188923 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J6CVENcYXZh |
|---|---|
| Name | Tuberospironine |
| Alternate Name(s) | (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-2-oxolanyl]-2'-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]one (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one (3S,3'R,4'R,9S,9aS)-4'-hydroxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxo-tetrahydrofuran-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-tetrahydrofuran]-2'-one (3S,3'R,4'R,9S,9aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxidanylidene-oxolan-2-yl]-4'-oxidanyl-spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H27NO5 |
| InChI | InChI=1S/C18H27NO5/c1-10-9-13(23-16(10)21)12-5-6-14-18(7-3-4-8-19(12)14)15(20)11(2)17(22)24-18/h10-15,20H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15+,18-/m0/s1 |
| InChIKey | UWDIPKSFCOQITE-PDKNDOMISA-N |
| Molecular Weight | 337.416 g/mol |
| SMILES | O[C@@]1([C@](C)([H])C(O[C@@]11[C@]2(N([C@@]([C@]3(OC(=O)[C@](C3)(C)[H])[H])([H])CC2)CCCC1)[H])=O)[H] |
| SPLASH | splash10-000i-0094000000-15c9d450769b55b7ffd1 |
| Source of Spectrum | G4-69-754-2 |
| Wiley ID | 1694342 |