| SpectraBase Compound ID | I0D2lD6dPlJ |
|---|---|
| InChI | InChI=1S/C22H30O9/c1-7-10(2)15(24)29-13-8-14-22(31-14)16(28-12(4)23)21(9-19(22,5)11(13)3)18(26)30-17(25)20(21,6)27/h7,11,13-14,16-17,25,27H,8-9H2,1-6H3/b10-7-/t11-,13+,14+,16-,17+,19+,20-,21+,22-/m1/s1 |
| InChIKey | IRSGLSHNRLNRSY-VCTXYBNFSA-N |
| Mol Weight | 438.47 g/mol |
| Molecular Formula | C22H30O9 |
| Exact Mass | 438.188983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TKeOsQhMSi |
|---|---|
| Name | 1-BETA,10-BETA-EPOXY-3-ALPHA-ANGELOYLOXY-9-BETA-ACETOXY-8-ALPHA,11-BETA-DIHYDROXY-BAKKENOLIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30O9 |
| InChI | InChI=1S/C22H30O9/c1-7-10(2)15(24)29-13-8-14-22(31-14)16(28-12(4)23)21(9-19(22,5)11(13)3)18(26)30-17(25)20(21,6)27/h7,11,13-14,16-17,25,27H,8-9H2,1-6H3/b10-7-/t11-,13+,14+,16-,17+,19+,20-,21+,22-/m1/s1 |
| InChIKey | IRSGLSHNRLNRSY-VCTXYBNFSA-N |
| Literature Reference Author | W.S.WANG,K.GAO,Z.J.JIA |
| Literature Reference Citation | J.CHIN.CHEM.SOC.,51,417(2004) |
| Literature Reference DOI | 10.1002/jccs.200400064 |
| Molecular Weight | 438.475 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU5458 |