| SpectraBase Compound ID | 9DF8NQHFRJY |
|---|---|
| InChI | InChI=1S/C24H34O8/c1-8-13(4)22(27)30-18-16-15(6)23(28)31-19(16)20(32-21(26)12(2)3)24(7,29)11-9-10-14(5)17(18)25/h8,12,14,16,18-20,29H,6,9-11H2,1-5,7H3/b13-8-/t14-,16-,18-,19+,20-,24+/m1/s1 |
| InChIKey | BJQNXQGBVGOSIN-OVMYZCELSA-N |
| Mol Weight | 450.5 g/mol |
| Molecular Formula | C24H34O8 |
| Exact Mass | 450.225368 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32ltffiWxby |
|---|---|
| Name | 8-ALPHA-ANGELOYLOXY-4-BETA-HYDROXY-5-BETA-ISOBUTYRYLOXY-9-OXO-GERMACRAN-7-BETA,12-ALPHA-OLIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H34O8 |
| InChI | InChI=1S/C24H34O8/c1-8-13(4)22(27)30-18-16-15(6)23(28)31-19(16)20(32-21(26)12(2)3)24(7,29)11-9-10-14(5)17(18)25/h8,12,14,16,18-20,29H,6,9-11H2,1-5,7H3/b13-8-/t14-,16-,18-,19+,20-,24+/m1/s1 |
| InChIKey | BJQNXQGBVGOSIN-OVMYZCELSA-N |
| Literature Reference Author | X.GAO,C.J.LIN,Z.J.JIA |
| Literature Reference Citation | J.NAT.PROD.,70,830(2007) |
| Literature Reference DOI | 10.1021/np0700570 |
| Molecular Weight | 450.529 g/mol |
| Sample ID | 30310 |
| Solvent | CDCl3 |