| SpectraBase Compound ID | ItmP67p9Tev |
|---|---|
| InChI | InChI=1S/C27H38O5/c1-19(2)9-6-12-22(26(30)31)13-7-10-20(3)11-8-15-27(5,32)16-14-23-18-24(28)21(4)17-25(23)29/h9,11,13-14,16-18,28-29,32H,6-8,10,12,15H2,1-5H3,(H,30,31)/b16-14-,20-11+,22-13+ |
| InChIKey | CSICLPIRUBSEIB-ZLAGLDBCSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C27H38O5 |
| Exact Mass | 442.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gH4tQt57GZ |
|---|---|
| Name | CHABROLOHYDROXYBENZOQUINONE-A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/c1-19(2)9-6-12-22(26(30)31)13-7-10-20(3)11-8-15-27(5,32)16-14-23-18-24(28)21(4)17-25(23)29/h9,11,13-14,16-18,28-29,32H,6-8,10,12,15H2,1-5H3,(H,30,31)/b16-14-,20-11+,22-13+ |
| InChIKey | CSICLPIRUBSEIB-ZLAGLDBCSA-N |
| Literature Reference Author | J.H.SHEU,J.H.SU,P.J.SUNG,G.H.WANG,C.F.DAI |
| Literature Reference Citation | J.NAT.PROD.,67,2048(2004) |
| Literature Reference DOI | 10.1021/np0401314 |
| Molecular Weight | 442.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ6846 |