| SpectraBase Compound ID | 9JZNQ0dLUYQ |
|---|---|
| InChI | InChI=1S/C38H46N4/c1-3-36-14-7-20-41-22-18-38(17-16-36)32(34(36)41)28-23-25(11-12-29(28)39-38)31-24-37(4-2)15-8-19-40-21-13-27-26-9-5-6-10-30(26)42(31)33(27)35(37)40/h5-6,8-12,15,23,31-32,34-35,39H,3-4,7,13-14,16-22,24H2,1-2H3/t31?,32-,34+,35?,36?,37-,38-/m0/s1 |
| InChIKey | CULNGZITEFVZBL-LDKZSUJHSA-N |
| Mol Weight | 558.8 g/mol |
| Molecular Formula | C38H46N4 |
| Exact Mass | 558.372247 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CyFQA0xj1y0 |
|---|---|
| Name | Celastromelidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H46N4 |
| InChI | InChI=1S/C38H46N4/c1-3-36-14-7-20-41-22-18-38(17-16-36)32(34(36)41)28-23-25(11-12-29(28)39-38)31-24-37(4-2)15-8-19-40-21-13-27-26-9-5-6-10-30(26)42(31)33(27)35(37)40/h5-6,8-12,15,23,31-32,34-35,39H,3-4,7,13-14,16-22,24H2,1-2H3/t31?,32-,34+,35?,36?,37-,38-/m0/s1 |
| InChIKey | CULNGZITEFVZBL-LDKZSUJHSA-N |
| Molecular Weight | 558.814 g/mol |
| SMILES | N1[C@]23[C@@](c4cc(ccc14)C1[n]4c5c(CCN6C5[C@](C=CC6)(CC)C1)c1c4cccc1)([C@]1(N(CC2)CCCC1(CC3)CC)[H])[H] |
| SPLASH | splash10-0pb9-0090040000-57cf97228e3178fc7128 |
| Source of Spectrum | X2-54-379-8 |
| Wiley ID | 1603923 |