| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J7w0uy3jcYd |
|---|---|
| Name | Axillarine E |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 | O[C@]1([C@]([C@](C[C@]2([C@]1(CC[C@@]1([C@@]2(CC[C@@]2([C@](CC[C@@]12[H])(C(N(C)C)C)[H])C)[H])[H])[H])C)(O)[H])(NC(=O)c1ccccc1)[H])[H] |
| SPLASH | splash10-00xr-9200700000-7a1f1f4c851bf9f1c6d1 |
| Source of Spectrum | X2-55-27-3 |
| Synonyms | 20.alpha.-(Dimethylamino)-3.beta.-(benzoylamino)-5.alpha.-pregnan-2.beta.,4.beta.-diol N-[(2beta,3beta,4beta,5alpha,20S)-20-(dimethylamino)-2,4-dihydroxypregnan-3-yl]benzamide |
| Wiley ID | 1604331 |