| SpectraBase Compound ID | 1rJ931cY5Z5 |
|---|---|
| InChI | InChI=1S/C18H31NO2/c1-2-3-4-5-6-10-16(20)11-7-9-15-14-18(21)17-12-8-13-19(15)17/h6,10,15,17-18,21H,2-5,7-9,11-14H2,1H3/b10-6+/t15-,17-,18-/m0/s1 |
| InChIKey | YILPETBITVIXIX-XUCWNBOQSA-N |
| Mol Weight | 293.45 g/mol |
| Molecular Formula | C18H31NO2 |
| Exact Mass | 293.235479 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IfcT9kNvqwj |
|---|---|
| Name | (+)-(E)-1-((1S,3S,7aS)-1-hydroxyhexahydro-1H-pyrrolizin-3-yl)-undec-5-en-4-one |
| Alternate Name(s) | Epohelmin B (E)-1-((1S,3S,7aS)-1-hydroxyhexahydro-1H-pyrrolizin-3-yl)undec-5-en-4-one (E)-1-[(1S,3S,8S)-1-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]-5-undecen-4-one (E)-1-[(1S,3S,8S)-1-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]undec-5-en-4-one (E)-1-[(1S,3S,8S)-1-oxidanyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]undec-5-en-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H31NO2 |
| InChI | InChI=1S/C18H31NO2/c1-2-3-4-5-6-10-16(20)11-7-9-15-14-18(21)17-12-8-13-19(15)17/h6,10,15,17-18,21H,2-5,7-9,11-14H2,1H3/b10-6+/t15-,17-,18-/m0/s1 |
| InChIKey | YILPETBITVIXIX-XUCWNBOQSA-N |
| Literature Reference DOI | 10.1002/asia.200700288 |
| Molecular Weight | 293.451 g/mol |
| SMILES | O[C@@]1([C@@]2(CCCN2[C@](C1)(CCCC(\C=C\CCCCC)=O)[H])[H])[H] |
| SPLASH | splash10-004i-3900000000-17d7728bd0dca39f334b |
| Source of Spectrum | CAJ-3-317-1 |
| Wiley ID | 1774544 |