| SpectraBase Compound ID | 9GM9LeS7GYF |
|---|---|
| InChI | InChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33+,34?,35?,36?,37-/m0/s1 |
| InChIKey | SFSFAWRKKRGBKI-VYILAGAWSA-N |
| Mol Weight | 652.7 g/mol |
| Molecular Formula | C37H40N4O7 |
| Exact Mass | 652.2897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bim4JEusob3 |
|---|---|
| Name | Haplophytine |
| CAS Registry Number | 16625-20-0 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H40N4O7 |
| InChI | InChI=1S/C37H40N4O7/c1-38-17-14-34(21-7-5-8-24(42)28(21)41-26(43)10-13-36(38,41)32(34)45)23-19-22-29(31(47-4)30(23)46-3)39(2)25-9-12-33-11-6-16-40-18-15-35(22,25)37(33,40)48-27(44)20-33/h5,7-9,12,19,25,42H,6,10-11,13-18,20H2,1-4H3/t25-,33+,34?,35?,36?,37-/m0/s1 |
| InChIKey | SFSFAWRKKRGBKI-VYILAGAWSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | P. Yates, M.P. Cava, W. Zeiger, J. Am. Chem. Soc. 95, 7842 (1973). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |