| SpectraBase Compound ID | H4n7pRqKvT2 |
|---|---|
| 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-/m0/s1 |
| InChIKey | XGTHDNFQKJWUPJ-QUMDVVGBSA-N |
| Mol Weight | 385.5 g/mol |
| Molecular Formula | C23H31NO4 |
| Exact Mass | 385.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FYR7cqSTln |
|---|---|
| Name | CALDAPHNIDINE_H |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-/m0/s1 |
| InChIKey | XGTHDNFQKJWUPJ-QUMDVVGBSA-N |
| Literature Reference Author | C.R.ZHANG,S.P.YANG,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,71,1663(2008) |
| Literature Reference DOI | 10.1021/np800323m |
| Molecular Weight | 385.503 g/mol |
| Sample ID | 29101 |
| Solvent | CD3OD |