| SpectraBase Compound ID | F6D76yEhgcm |
|---|---|
| InChI | InChI=1S/C27H37NO7/c1-6-11(2)22(32)35-15-9-26-18-14-8-25-7-12(3)16(17(30)19(25)26)20(31)27(25,33)23(26)28(14)10-24(18,5)21(15)34-13(4)29/h11,14-21,23,30-31,33H,3,6-10H2,1-2,4-5H3/t11?,14-,15+,16+,17+,18+,19+,20-,21+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | AFNCJAGURSSCGO-NWCBAQDPSA-N |
| Mol Weight | 487.6 g/mol |
| Molecular Formula | C27H37NO7 |
| Exact Mass | 487.257003 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4PAtJxfiAS |
|---|---|
| Name | 9-Deoxyglanduline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H37NO7 |
| InChI | InChI=1S/C27H37NO7/c1-6-11(2)22(32)35-15-9-26-18-14-8-25-7-12(3)16(17(30)19(25)26)20(31)27(25,33)23(26)28(14)10-24(18,5)21(15)34-13(4)29/h11,14-21,23,30-31,33H,3,6-10H2,1-2,4-5H3/t11?,14-,15+,16+,17+,18+,19+,20-,21+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | AFNCJAGURSSCGO-NWCBAQDPSA-N |
| Molecular Weight | 487.593 g/mol |
| SMILES | O[C@]1([C@]2([C@]([C@@]3([C@@]4([C@@]1([C@@]1([C@@]33[C@@]5([C@@](N1C[C@@]5([C@](OC(=O)C)([C@@](C3)(OC(=O)C(CC)C)[H])[H])C)(C4)[H])[H])[H])O)CC2=C)[H])(O)[H])[H])[H] |
| SPLASH | splash10-0536-9000300000-12da8079194d8334889e |
| Source of Spectrum | G4-65-498-1 |
| Wiley ID | 1639392 |