| SpectraBase Compound ID | ABD8EnbVcSL |
|---|---|
| InChI | InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1 |
| InChIKey | OWPWFVVPBYFKBG-NYVHBPEFSA-N |
| Mol Weight | 532.6 g/mol |
| Molecular Formula | C29H40O9 |
| Exact Mass | 532.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYP1mfnPEqH |
|---|---|
| Name | CALOTROPIN,(3-BETA-R,5-ALPHA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O9 |
| InChI | InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1 |
| InChIKey | OWPWFVVPBYFKBG-NYVHBPEFSA-N |
| Literature Reference Author | S.M.LEE,J.N.SEIBER |
| Literature Reference Citation | PHYTOCHEM.,22,923(1983) |
| Literature Reference DOI | 10.1016/0031-9422(83)85022-5 |
| Molecular Weight | 532.631 g/mol |
| Solvent | CDCl3:CH3OH |
| Source File Reference | UNIW8441 |