| SpectraBase Compound ID | DiUU7HICIqx |
|---|---|
| InChI | InChI=1S/C23H31NO4/c1-12-10-24-11-13-8-18(25)15-5-4-14-16(20(26)28-3)9-22(19(14)15)21(13,2)7-6-17(12)23(22,24)27/h12-13,17-18,25,27H,4-11H2,1-3H3/t12-,13-,17-,18-,21+,22-,23-/m1/s1 |
| InChIKey | XGTHDNFQKJWUPJ-ZHQTWXKGSA-N |
| Mol Weight | 385.5 g/mol |
| Molecular Formula | C23H31NO4 |
| Exact Mass | 385.225308 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B9K21wV6YfV |
|---|---|
| Name | Caldaphnidine H |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H31NO4 |
| InChI | InChI=1S/C23H31NO4/c1-12-10-24-11-13-8-18(25)15-5-4-14-16(20(26)28-3)9-22(19(14)15)21(13,2)7-6-17(12)23(22,24)27/h12-13,17-18,25,27H,4-11H2,1-3H3/t12-,13-,17-,18-,21+,22-,23-/m1/s1 |
| InChIKey | XGTHDNFQKJWUPJ-ZHQTWXKGSA-N |
| Molecular Weight | 385.504 g/mol |
| SMILES | O[C@]1(C=2CCC=3C2[C@]2([C@@]4([C@@]5(CC[C@]2([C@](C1)(CN4C[C@]5(C)[H])[H])C)[H])O)CC3C(=O)OC)[H] |
| SPLASH | splash10-00kf-0219000000-888a767ac091b0a2b04c |
| Source of Spectrum | G4-71-1667-2 |
| Wiley ID | 1695148 |