| SpectraBase Compound ID | LYcMRCoYiSE |
|---|---|
| InChI | InChI=1S/C24H34O6/c1-21-8-5-15(25)11-23(21,28)12-18(26)20-17(21)6-9-22(2)16(7-10-24(20,22)29)14-3-4-19(27)30-13-14/h3-4,13,15-18,20,25-26,28-29H,5-12H2,1-2H3/t15-,16+,17?,18-,20-,21+,22+,23+,24-/m0/s1 |
| InChIKey | ZBONUBXAGVKSOP-QEIHORJJSA-N |
| Mol Weight | 418.5 g/mol |
| Molecular Formula | C24H34O6 |
| Exact Mass | 418.235539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRnZ2JStO4I |
|---|---|
| Name | 5-BETA,7-BETA-DIHYDROXY-BUFALIN |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H34O6 |
| InChI | InChI=1S/C24H34O6/c1-21-8-5-15(25)11-23(21,28)12-18(26)20-17(21)6-9-22(2)16(7-10-24(20,22)29)14-3-4-19(27)30-13-14/h3-4,13,15-18,20,25-26,28-29H,5-12H2,1-2H3/t15-,16+,17?,18-,20-,21+,22+,23+,24-/m0/s1 |
| InChIKey | ZBONUBXAGVKSOP-QEIHORJJSA-N |
| Literature Reference Author | M.YE,J.HAN,G.TU,D.AN,D.GUO |
| Literature Reference Citation | J.NAT.PROD.,68,626(2005) |
| Literature Reference DOI | 10.1021/np0500023 |
| Molecular Weight | 418.530 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ9375 |