| SpectraBase Compound ID | 5gqGFuGAZpG |
|---|---|
| InChI | InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h14,16,18,22,27,30H,3,7-13,15H2,1-2,4-6H3/t18-,22+,25+,26+/m0/s1 |
| InChIKey | VNDCVHMWISOLKI-DVBYZVISSA-N |
| Mol Weight | 413.6 g/mol |
| Molecular Formula | C26H39NO3 |
| Exact Mass | 413.292994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GImIR1zR1Hq |
|---|---|
| Name | Smenospongiarine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO3 |
| InChI | InChI=1S/C26H39NO3/c1-16(2)11-13-27-20-14-21(28)24(30)19(23(20)29)15-26(6)18(4)10-12-25(5)17(3)8-7-9-22(25)26/h14,16,18,22,27,30H,3,7-13,15H2,1-2,4-6H3/t18-,22+,25+,26+/m0/s1 |
| InChIKey | VNDCVHMWISOLKI-DVBYZVISSA-N |
| Molecular Weight | 413.602 g/mol |
| SMILES | N(C=1C(C(=C(C(C1)=O)O)C[C@]1([C@]2([C@](C(=C)CCC2)(C)CC[C@@]1(C)[H])[H])C)=O)CCC(C)C |
| SPLASH | splash10-00di-2190000000-95dd1a86bf75bab3f296 |
| Source of Spectrum | F-48-6676-8 |
| Wiley ID | 1375083 |