| SpectraBase Compound ID | FTLAENlroPJ |
|---|---|
| InChI | InChI=1S/C29H36N2O7/c1-13-9-21(32)22-15(27(34)38-11-16(13)22)8-14(2)24-23-17-12-37-26(25(23)33)29(10-19(17)30-24)18-6-4-5-7-20(18)31(36-3)28(29)35/h4-7,13-17,19,21-23,25-26,32-33H,8-12H2,1-3H3/t13-,14+,15+,16+,17-,19+,21-,22+,23-,25-,26+,29-/m0/s1 |
| InChIKey | CGMCRGNWBLGDNB-XWDFYPODSA-N |
| Mol Weight | 524.6 g/mol |
| Molecular Formula | C29H36N2O7 |
| Exact Mass | 524.252252 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ltblj7DM9uc |
|---|---|
| Name | 14.alpha.-hydroxy-elegansamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H36N2O7 |
| InChI | InChI=1S/C29H36N2O7/c1-13-9-21(32)22-15(27(34)38-11-16(13)22)8-14(2)24-23-17-12-37-26(25(23)33)29(10-19(17)30-24)18-6-4-5-7-20(18)31(36-3)28(29)35/h4-7,13-17,19,21-23,25-26,32-33H,8-12H2,1-3H3/t13-,14+,15+,16+,17-,19+,21-,22+,23-,25-,26+,29-/m0/s1 |
| InChIKey | CGMCRGNWBLGDNB-XWDFYPODSA-N |
| Molecular Weight | 524.614 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@](C[C@](C3=N[C@]4([C@]5([C@@]3([C@@]([C@]([C@@]3(C4)C(N(OC)c4c3cccc4)=O)(OC5)[H])(O)[H])[H])[H])[H])(C)[H])(C(OC[C@@]2([C@](C1)(C)[H])[H])=O)[H])[H])[H] |
| SPLASH | splash10-0006-1219330000-85a1ff2d768dd87a3c3c |
| Source of Spectrum | G4-69-1350-2 |
| Wiley ID | 1694464 |