| SpectraBase Compound ID | FD4encGs389 |
|---|---|
| InChI | InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1 |
| InChIKey | JLVNEHKORQFVQJ-SBCNTATESA-N |
| Mol Weight | 343.42 g/mol |
| Molecular Formula | C20H25NO4 |
| Exact Mass | 343.178358 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KIRwhC4lM2a |
|---|---|
| Name | 6a-Naltrexol |
| Catalog Number | 21975 |
| CAS Registry Number | 20410-98-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H25NO4 |
| InChI | InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1 |
| InChIKey | JLVNEHKORQFVQJ-SBCNTATESA-N |
| Molecular Weight | 343.423 g/mol |
| SMILES | O[C@]12CC[C@@]([C@@]3(Oc4c(ccc5c4[C@]23CCN([C@@]1(C5)[H])CC1CC1)O)[H])(O)[H] |
| SPLASH | splash10-052f-6944000000-9ec15044dca2c178e193 |
| Source of Spectrum | CAY-2023-632-0 |
| Wiley ID | 1888591 |