| SpectraBase Compound ID | ElKWrQFCp8v |
|---|---|
| InChI | InChI=1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,25H,1,5-9,11,22H2,2-4H3/t13-,17+,20-,21+/m0/s1 |
| InChIKey | LTNUWWZNTOSEML-SNLNFDIBSA-N |
| Mol Weight | 343.47 g/mol |
| Molecular Formula | C21H29NO3 |
| Exact Mass | 343.214744 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LfMjDOhodxa |
|---|---|
| Name | 5-epi-smenospongine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29NO3 |
| InChI | InChI=1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,25H,1,5-9,11,22H2,2-4H3/t13-,17+,20-,21+/m0/s1 |
| InChIKey | LTNUWWZNTOSEML-SNLNFDIBSA-N |
| Molecular Weight | 343.467 g/mol |
| SMILES | NC=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 |
| SPLASH | splash10-0udi-0900000000-2fefc9f6741e8832c4ba |
| Source of Spectrum | G4-63-1155-2 |
| Wiley ID | 1608532 |