| SpectraBase Compound ID | EWF4gPVPxwe |
|---|---|
| InChI | InChI=1S/C23H31NO4/c1-13-11-24-12-14-4-8-20-9-6-17-15(18(25)27-3)10-21(22(17,20)28-20)19(14,2)7-5-16(13)23(21,24)26/h13-14,16,26H,4-12H2,1-3H3/t13-,14-,16-,19+,20-,21+,22+,23-/m1/s1 |
| InChIKey | BJFLVMROQKHALJ-UQAUQSQVSA-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 | JSTbmBypGtN |
|---|---|
| Name | Caldaphnidine I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H31NO4 |
| InChI | InChI=1S/C23H31NO4/c1-13-11-24-12-14-4-8-20-9-6-17-15(18(25)27-3)10-21(22(17,20)28-20)19(14,2)7-5-16(13)23(21,24)26/h13-14,16,26H,4-12H2,1-3H3/t13-,14-,16-,19+,20-,21+,22+,23-/m1/s1 |
| InChIKey | BJFLVMROQKHALJ-UQAUQSQVSA-N |
| Molecular Weight | 385.504 g/mol |
| SMILES | O[C@@]12[C@]34[C@]56[C@](CCC6=C(C(=O)OC)C4)(CC[C@]4([C@@]3(CC[C@@]1([C@](C)(CN2C4)[H])[H])C)[H])O5 |
| SPLASH | splash10-0aba-9236000000-2b5f32dcc5737e9d100c |
| Source of Spectrum | G4-71-1667-3 |
| Wiley ID | 1695147 |