| SpectraBase Compound ID | ITiGTYhFKDn |
|---|---|
| InChI | InChI=1S/C29H36O9/c1-15-9-22(31)29(33)24(35-15)36-20-10-16-3-4-19-18(26(16,14-30)12-21(20)37-29)5-6-25(2)27(7-8-28(19,25)38-27)17-11-23(32)34-13-17/h3,11,14-15,18-22,24,31,33H,4-10,12-13H2,1-2H3/t15-,18+,19-,20-,21-,22+,24+,25-,26-,27-,28+,29+/m1/s1 |
| InChIKey | QRYJIIJROYRTHF-SENFHPAPSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C29H36O9 |
| Exact Mass | 528.235933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuNNnKsJ0IQ |
|---|---|
| Name | 14-BETA,17-ALPHA-EPOXY-5,6-DEHYDRO-CALOTROPIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O9 |
| InChI | InChI=1S/C29H36O9/c1-15-9-22(31)29(33)24(35-15)36-20-10-16-3-4-19-18(26(16,14-30)12-21(20)37-29)5-6-25(2)27(7-8-28(19,25)38-27)17-11-23(32)34-13-17/h3,11,14-15,18-22,24,31,33H,4-10,12-13H2,1-2H3/t15-,18+,19-,20-,21-,22+,24+,25-,26-,27-,28+,29+/m1/s1 |
| InChIKey | QRYJIIJROYRTHF-SENFHPAPSA-N |
| Literature Reference Author | H.EL-ASKARY,J.HOELZL,S.HILAL,E.EL-KASHOURY |
| Literature Reference Citation | PHYTOCHEM.,34,1399(1993) |
| Literature Reference DOI | 10.1016/0031-9422(91)80037-2 |
| Molecular Weight | 528.599 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU20680 |