| SpectraBase Compound ID | GnG1DAXWkKX |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17?,18?,19?,21+,22+,25+,26+,27+/m0/s1 |
| InChIKey | CRAPXAGGASWTPU-BVUHPPODSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | fU8Hwvxoz0 |
|---|---|
| Name | 5.alpha.-2-Deoxyecdysone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17?,18?,19?,21+,22+,25+,26+,27+/m0/s1 |
| InChIKey | CRAPXAGGASWTPU-BVUHPPODSA-N |
| Molecular Weight | 448.644 g/mol |
| SMILES | OC(CC[C@]([C@](C1[C@]2(CCC3C([C@@]2(CC1)O)=CC([C@]1(CC(CC[C@]31C)O)[H])=O)C)(C)[H])(O)[H])(C)C |
| SPLASH | splash10-001j-9074200000-dcb093134e8dd5a2b757 |
| Source of Spectrum | X4-23-710-0 |
| Wiley ID | 1586097 |