| SpectraBase Compound ID | AB1rQeAznBM |
|---|---|
| InChI | InChI=1S/C33H43N5O4/c1-7-21(4)29(38(5)6)33(41)37-28-30(20(2)3)42-24-14-12-22(13-15-24)16-17-34-31(39)27(36-32(28)40)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,39)(H,36,40)(H,37,41)/b17-16-/t21?,27-,28-,29-,30+/m0/s1 |
| InChIKey | SCJZVYYNGPHJMK-QSPFXTQESA-N |
| Mol Weight | 573.7 g/mol |
| Molecular Formula | C33H43N5O4 |
| Exact Mass | 573.331505 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HUWGRuHRsPc |
|---|---|
| Name | Discarine B |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H43N5O4 |
| InChI | InChI=1S/C33H43N5O4/c1-7-21(4)29(38(5)6)33(41)37-28-30(20(2)3)42-24-14-12-22(13-15-24)16-17-34-31(39)27(36-32(28)40)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,39)(H,36,40)(H,37,41)/b17-16-/t21?,27-,28-,29-,30+/m0/s1 |
| InChIKey | SCJZVYYNGPHJMK-QSPFXTQESA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np800377y |
| Molecular Weight | 573.738 g/mol |
| Optical Rotation | [a]D20 = -172 (c = 0.1 CHCl3) |
| SMILES | N1C([C@](Cc2c3c(cccc3)[nH]c2)(NC([C@]([C@](Oc2ccc(\C=C/1)cc2)(C(C)C)[H])(NC(=O)[C@](C(CC)C)(N(C)C)[H])[H])=O)[H])=O |
| SPLASH | splash10-03ei-0900000000-69fee2c3bbfdb173ff00 |
| Source of Spectrum | G4-72-SM3-2 |
| Wiley ID | 1872161 |