| SpectraBase Compound ID | K1YMATxknDA |
|---|---|
| InChI | InChI=1S/C29H38O10/c1-14-7-23(32)29(35)25(37-14)38-20-9-16-3-4-18-17(27(16,13-30)11-21(20)39-29)5-6-26(2)19(10-22(31)28(18,26)34)15-8-24(33)36-12-15/h4,8,13-14,16-17,19-23,25,31-32,34-35H,3,5-7,9-12H2,1-2H3/t14-,16+,17?,19-,20-,21-,22-,23+,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | PCILHCRNGDANAS-VKDNYYFCSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C29H38O10 |
| Exact Mass | 546.246497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3SJ6q5hsrKV |
|---|---|
| Name | 15-BETA-HYDROXY-7,8-DEHYDROCALOTROPIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O10 |
| InChI | InChI=1S/C29H38O10/c1-14-7-23(32)29(35)25(37-14)38-20-9-16-3-4-18-17(27(16,13-30)11-21(20)39-29)5-6-26(2)19(10-22(31)28(18,26)34)15-8-24(33)36-12-15/h4,8,13-14,16-17,19-23,25,31-32,34-35H,3,5-7,9-12H2,1-2H3/t14-,16+,17?,19-,20-,21-,22-,23+,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey | PCILHCRNGDANAS-VKDNYYFCSA-N |
| Literature Reference Author | N.S.ABDEL-AZIM |
| Literature Reference Citation | PHYTOCHEM.,49,273(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00848-0 |
| Molecular Weight | 546.615 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU300 |