| SpectraBase Compound ID | ITWT476yJTp |
|---|---|
| InChI | InChI=1S/C26H34O10/c1-13(2)8-19(33-14(3)27)22(34-15(4)28)18-10-30-24(35-16(5)29)21-17(18)6-7-25(11-31-25)23-20(36-23)9-26(21)12-32-26/h8,10,17,19-24H,6-7,9,11-12H2,1-5H3/t17?,19-,20?,21?,22+,23?,24?,25?,26+/m0/s1 |
| InChIKey | SUXIRCYRXMJWSU-ISXQNVQASA-N |
| Mol Weight | 506.5 g/mol |
| Molecular Formula | C26H34O10 |
| Exact Mass | 506.215197 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9DbMOZyIXQ7 |
|---|---|
| Name | Havannahine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H34O10 |
| InChI | InChI=1S/C26H34O10/c1-13(2)8-19(33-14(3)27)22(34-15(4)28)18-10-30-24(35-16(5)29)21-17(18)6-7-25(11-31-25)23-20(36-23)9-26(21)12-32-26/h8,10,17,19-24H,6-7,9,11-12H2,1-5H3/t17?,19-,20?,21?,22+,23?,24?,25?,26+/m0/s1 |
| InChIKey | SUXIRCYRXMJWSU-ISXQNVQASA-N |
| Molecular Weight | 506.548 g/mol |
| SMILES | [C@]12(C3C(C([C@]([C@](C=C(C)C)(OC(=O)C)[H])(OC(=O)C)[H])=COC3OC(=O)C)CCC3(C4C(O4)C2)OC3)OC1 |
| SPLASH | splash10-004i-0009000000-e723545f3a670efb0817 |
| Source of Spectrum | X2-50-207-4 |
| Wiley ID | 1602162 |