| SpectraBase Compound ID | J8WGW7PNmiF |
|---|---|
| InChI | InChI=1S/C33H52N2O4/c1-10-20(2)30(38)34-28-14-11-23-17-24-15-16-32(6)29(21(3)35(8)9)27(39-22(4)37)18-33(32,7)26(24)13-12-25(23)31(28,5)19-36/h10,15,17,21,25-29,36H,11-14,16,18-19H2,1-9H3,(H,34,38)/b20-10+/t21-,25+,26+,27+,28-,29-,31+,32+,33-/m0/s1 |
| InChIKey | BRGSDABMUAIXHJ-JIXSKCAHSA-N |
| Mol Weight | 540.8 g/mol |
| Molecular Formula | C33H52N2O4 |
| Exact Mass | 540.392708 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HLWzwvDNIjO |
|---|---|
| Name | Sempervirine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H52N2O4 |
| InChI | InChI=1S/C33H52N2O4/c1-10-20(2)30(38)34-28-14-11-23-17-24-15-16-32(6)29(21(3)35(8)9)27(39-22(4)37)18-33(32,7)26(24)13-12-25(23)31(28,5)19-36/h10,15,17,21,25-29,36H,11-14,16,18-19H2,1-9H3,(H,34,38)/b20-10+/t21-,25+,26+,27+,28-,29-,31+,32+,33-/m0/s1 |
| InChIKey | BRGSDABMUAIXHJ-JIXSKCAHSA-N |
| Molecular Weight | 540.789 g/mol |
| SMILES | N(C(\C(=C\C)C)=O)[C@]1(CCC2=CC3=CC[C@]4([C@]([C@@]3(CC[C@]2([C@]1(CO)C)[H])[H])(C[C@]([C@@]4([C@@](N(C)C)(C)[H])[H])(OC(=O)C)[H])C)C)[H] |
| SPLASH | splash10-00dl-6400190000-00c5ca5af059d2fffae1 |
| Source of Spectrum | X3-35-116-i |
| Wiley ID | 1713679 |