| SpectraBase Compound ID | BoYPDb05zPz |
|---|---|
| InChI | InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22?,23-,24+,25+/m1/s1 |
| InChIKey | WRBGCYVAJRRQKP-KOMPIFHDSA-N |
| Mol Weight | 494.5 g/mol |
| Molecular Formula | C25H34O10 |
| Exact Mass | 494.215197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6qQyRenejl |
|---|---|
| Name | GLAUCARUBINONE |
| CAS Registry Number | 1448-23-3 |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34O10 |
| InChI | InChI=1S/C25H34O10/c1-6-22(4,31)21(30)35-16-15-11(3)17(27)25(32)20-23(5)12(10(2)7-13(26)18(23)28)8-14(34-19(16)29)24(15,20)9-33-25/h7,11-12,14-18,20,27-28,31-32H,6,8-9H2,1-5H3/t11-,12+,14-,15-,16-,17-,18-,20-,22?,23-,24+,25+/m1/s1 |
| InChIKey | WRBGCYVAJRRQKP-KOMPIFHDSA-N |
| Literature Reference Author | J.POLONSKY,Z.BASKEVITCH,H.E.GOTTLIEB,E.W.HAGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,40,2499(1975) |
| Literature Reference DOI | 10.1021/jo00905a017 |
| Molecular Weight | 494.539 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS12415 |