| SpectraBase Compound ID | KErxNuFaFUe |
|---|---|
| InChI | InChI=1S/C30H46N2O3/c1-18(32(4)5)21-13-14-22-20-11-12-24-27(34)26(31-28(35)19-9-7-6-8-10-19)25(33)17-30(24,3)23(20)15-16-29(21,22)2/h6-10,18,20-27,33-34H,11-17H2,1-5H3,(H,31,35)/t18?,20-,21+,22-,23-,24-,25-,26-,27+,29+,30+/m0/s1 |
| InChIKey | AXDCYYBJKVWQML-QEGSHUPTSA-N |
| Mol Weight | 482.7 g/mol |
| Molecular Formula | C30H46N2O3 |
| Exact Mass | 482.350843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 33Irl6Yx1yB |
|---|---|
| Name | Axillarine E |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.350843346 u |
| Formula | C30H46N2O3 |
| InChI | InChI=1S/C30H46N2O3/c1-18(32(4)5)21-13-14-22-20-11-12-24-27(34)26(31-28(35)19-9-7-6-8-10-19)25(33)17-30(24,3)23(20)15-16-29(21,22)2/h6-10,18,20-27,33-34H,11-17H2,1-5H3,(H,31,35)/t18?,20-,21+,22-,23-,24-,25-,26-,27+,29+,30+/m0/s1 |
| InChIKey | AXDCYYBJKVWQML-QEGSHUPTSA-N |
| Molecular Weight | 482.709 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)(C(N(C)C)C)[H])[H])([H])CC[C@]2([C@@](O)([C@]([C@](C1)(O)[H])(NC(=O)C=1C=CC=CC1)[H])[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91315 |