| SpectraBase Compound ID | JnTwrH24VWM |
|---|---|
| InChI | InChI=1S/C19H29NO/c1-2-3-4-6-15-7-5-8-19-18(15)12-11-16-9-10-17(13-14-21)20(16)19/h1,3-4,15-19,21H,5-14H2/b4-3-/t15-,16-,17+,18+,19-/m0/s1 |
| InChIKey | IQTIQAXNJBRKRG-IZDLKJCPSA-N |
| Mol Weight | 287.45 g/mol |
| Molecular Formula | C19H29NO |
| Exact Mass | 287.224915 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0mrGYwoEpU |
|---|---|
| Name | (1S,3aS,5aS,6s(Z),9aR,10R)dodecahydro-6-(2-penten-4-yl)pyrrolo(1,2-a)quinoline-1-ethanol |
| Alternate Name(s) | 2-[(1R,3aR,5aR,6R,9aS)-6-[(Z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol Gephyrotoxin Histrionicotoxin D HTX D Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2-penten-4-ynyl)-, (1R-(1alpha,3abeta,5aalpha,6alpha(Z),9aalpha))- Pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2Z)-2-penten-4-ynyl-, (1R,3aR,5aR,6R,9aS)- |
| CAS Registry Number | 55893-12-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H29NO |
| InChI | InChI=1S/C19H29NO/c1-2-3-4-6-15-7-5-8-19-18(15)12-11-16-9-10-17(13-14-21)20(16)19/h1,3-4,15-19,21H,5-14H2/b4-3-/t15-,16-,17+,18+,19-/m0/s1 |
| InChIKey | IQTIQAXNJBRKRG-IZDLKJCPSA-N |
| Molecular Weight | 287.447 g/mol |
| SMILES | OCC[C@@]1(N2[C@@]3([C@]([C@@](C\C=C/C#C)(CCC3)[H])([H])CC[C@@]2(CC1)[H])[H])[H] |
| SPLASH | splash10-006x-3190000000-082312cdefa8f3b0e240 |
| Source of Spectrum | W5-25842-0-0 |
| Wiley ID | 1291029 |