| SpectraBase Compound ID | 7zgRFZWCc5V |
|---|---|
| InChI | InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18?,19?,21+,22-,23-,24+,25-,26-/m1/s1 |
| InChIKey | SCULJPGYOQQXTK-VKKHSWALSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C26H34O6 |
| Exact Mass | 442.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FR4NbDL1ZNi |
|---|---|
| Name | CINOBUFAGIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34O6 |
| InChI | InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18?,19?,21+,22-,23-,24+,25-,26-/m1/s1 |
| InChIKey | SCULJPGYOQQXTK-VKKHSWALSA-N |
| Literature Reference Author | X.C.MA,X.L.XIN,K.X.LIU,J.HAN,D.A.GUO |
| Literature Reference Citation | J.NAT.PROD.,71,1268(2008) |
| Literature Reference DOI | 10.1021/np800210a |
| Molecular Weight | 442.552 g/mol |
| Sample ID | 28733 |
| Solvent | DMSO-D6 |