| SpectraBase Compound ID | 4VDMsVHqhGd |
|---|---|
| InChI | InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2,15(21)11-17(22)24)19-23(12-21)8-9-26-19/h14-19,24-25H,1,3-12H2,2H3/t14?,15-,16+,17+,18?,19-,20-,21+,22+/m0/s1 |
| InChIKey | NECCSQDLMQIKJF-SHIZRTCMSA-N |
| Mol Weight | 359.5 g/mol |
| Molecular Formula | C22H33NO3 |
| Exact Mass | 359.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8sPtKwJDPT |
|---|---|
| Name | 7a-Hydroxy-iso-atisine |
| CAS Registry Number | 70022-66-1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H33NO3 |
| InChI | InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2,15(21)11-17(22)24)19-23(12-21)8-9-26-19/h14-19,24-25H,1,3-12H2,2H3/t14?,15-,16+,17+,18?,19-,20-,21+,22+/m0/s1 |
| InChIKey | NECCSQDLMQIKJF-SHIZRTCMSA-N |
| Literature Reference | S.W. Pelletier, N.V. Mody, J. Am. Chem. Soc. 101, 492 (1979). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |