| SpectraBase Compound ID | FcDAeDgw6UF |
|---|---|
| InChI | InChI=1S/C32H36O11/c1-8-20(35)42-26-22(41-15(2)33)24-28(3)11-9-18(34)29(4,27(38)39-7)23(28)21(36)25(37)31(24,6)32-19(43-32)13-17(30(26,32)5)16-10-12-40-14-16/h9-12,14,17,19,22,24,26,36H,8,13H2,1-7H3/t17-,19+,22+,24?,26-,28-,29-,30+,31-,32+/m0/s1 |
| InChIKey | MSPSOUKLPSVQMY-USRZNTKWSA-N |
| Mol Weight | 596.6 g/mol |
| Molecular Formula | C32H36O11 |
| Exact Mass | 596.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1G32iz1x8QK |
|---|---|
| Name | HIRTIN;METHYL-6-HYDROXY-11-BETA-ACETOXY-12-ALPHA-PROPANOYLOXY-3,7-DIOXO-14-BETA,15-BETA-EPOXY-1,5-MELIACADIEN-29-OATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H36O11 |
| InChI | InChI=1S/C32H36O11/c1-8-20(35)42-26-22(41-15(2)33)24-28(3)11-9-18(34)29(4,27(38)39-7)23(28)21(36)25(37)31(24,6)32-19(43-32)13-17(30(26,32)5)16-10-12-40-14-16/h9-12,14,17,19,22,24,26,36H,8,13H2,1-7H3/t17-,19+,22+,24?,26-,28-,29-,30+,31-,32+/m0/s1 |
| InChIKey | MSPSOUKLPSVQMY-USRZNTKWSA-N |
| Literature Reference Author | M.S.J.SIMMONDS,P.C.STEVENSON,E.A.PORTER,N.C.VEITCH |
| Literature Reference Citation | J.NAT.PROD.,64,1117(2001) |
| Literature Reference DOI | 10.1021/np010197o |
| Molecular Weight | 596.631 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1847 |