| SpectraBase Compound ID | BJgReTxWJNc |
|---|---|
| InChI | InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1 |
| InChIKey | IUKLSMSEHKDIIP-BZMYINFQSA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C27H45NO3 |
| Exact Mass | 431.339944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FOmg6glJqra |
|---|---|
| Name | Peimine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO3 |
| InChI | InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1 |
| InChIKey | IUKLSMSEHKDIIP-BZMYINFQSA-N |
| Molecular Weight | 431.661 g/mol |
| SMILES | O[C@@]1([C@]2(N(C[C@]3([C@@]4(C[C@@]5([C@]6(CC[C@@](C[C@@]6([C@](C[C@]5([C@@]4(CC[C@]13[H])[H])[H])(O)[H])[H])(O)[H])C)[H])[H])[H])C[C@](CC2)(C)[H])[H])C |
| SPLASH | splash10-03di-6900000000-dac165eba93ee99df690 |
| Source of Spectrum | CD-263-0-0 |
| Synonyms | (3beta,5alpha,6alpha)-cevane-3,6,20-triol Verticine |
| Wiley ID | 1382019 |