| SpectraBase Compound ID | Iej3A1pYB2f |
|---|---|
| InChI | InChI=1S/C27H44N2O/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,29H,6-15,28H2,1-4H3/t16?,17-,19+,20+,21-,22-,23-,24-,25-,26-,27?/m0/s1 |
| InChIKey | RNRSCNSOTUEDQF-HHJKLOIOSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C27H44N2O |
| Exact Mass | 412.345364 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ga6rVZXgs9 |
|---|---|
| Name | 3..alpha.-Amino-spirosol-5-ene |
| Alternate Name(s) | (22R,25R)-3..alpha.-Amino-spirosol-5-ene (3alpha)-spirosol-5-en-3-amine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44N2O |
| InChI | InChI=1S/C27H44N2O/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,29H,6-15,28H2,1-4H3/t16?,17-,19+,20+,21-,22-,23-,24-,25-,26-,27?/m0/s1 |
| InChIKey | RNRSCNSOTUEDQF-HHJKLOIOSA-N |
| Molecular Weight | 412.662 g/mol |
| SMILES | N[C@@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]5([C@@](C6(O[C@]5(C4)[H])NCC(CC6)C)(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-0ly9-3906200000-e4b78ef29e4cf1f6b179 |
| Source of Spectrum | G4-59-201-3 |
| Wiley ID | 1606223 |