| SpectraBase Compound ID | EhTbVEPWDbf |
|---|---|
| InChI | InChI=1S/C21H28O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9,12,16-19,22-23H,1,8,10-11H2,2-4H3/t12-,16-,17+,18+,19?,20-,21+/m0/s1 |
| InChIKey | ARPWINJFGMKMTO-QNOHSERESA-N |
| Mol Weight | 376.45 g/mol |
| Molecular Formula | C21H28O6 |
| Exact Mass | 376.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4eG6dUOasvb |
|---|---|
| Name | CANELLIN_A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O6 |
| InChI | InChI=1S/C21H28O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9,12,16-19,22-23H,1,8,10-11H2,2-4H3/t12-,16-,17+,18+,19?,20-,21+/m0/s1 |
| InChIKey | ARPWINJFGMKMTO-QNOHSERESA-N |
| Literature Reference Author | V.S.P.CHATURVEDULA,S.M.HECHT,Z.GAO,S.H.JONES,X.FENG,D.G.I.KI NGSTON |
| Literature Reference Citation | J.NAT.PROD.,67,964(2004) |
| Literature Reference DOI | 10.1021/np030507y |
| Molecular Weight | 376.450 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ7262 |