| SpectraBase Compound ID | G0dZbeurHXZ |
|---|---|
| InChI | InChI=1S/C28H42O5/c1-16(30)24-18(15-29)28(7)22(13-19(24)33-17(2)31)27(6)12-9-20-25(3,4)10-8-11-26(20,5)21(27)14-23(28)32/h15,18-22,24H,8-14H2,1-7H3/t18-,19-,20?,21?,22?,24-,26-,27+,28+/m0/s1 |
| InChIKey | QWCRRICPNFUTJK-GAELHTNISA-N |
| Mol Weight | 458.6 g/mol |
| Molecular Formula | C28H42O5 |
| Exact Mass | 458.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GftR77Sg3ec |
|---|---|
| Name | 16-BETA-ACETOXY-24-METHYL-12,24-DIOXO-SCLARAN-25-AL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42O5 |
| InChI | InChI=1S/C28H42O5/c1-16(30)24-18(15-29)28(7)22(13-19(24)33-17(2)31)27(6)12-9-20-25(3,4)10-8-11-26(20,5)21(27)14-23(28)32/h15,18-22,24H,8-14H2,1-7H3/t18-,19-,20?,21?,22?,24-,26-,27+,28+/m0/s1 |
| InChIKey | QWCRRICPNFUTJK-GAELHTNISA-N |
| Literature Reference Author | F.J.SCHMITZ,J.C.CHANG |
| Literature Reference Citation | J.NAT.PROD.,51,745(1988) |
| Literature Reference DOI | 10.1021/np50058a013 |
| Molecular Weight | 458.638 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17287 |