| SpectraBase Compound ID | 2xp3OLGmlxj |
|---|---|
| InChI | InChI=1S/C31H40O8/c1-18(10-8-12-25(33)34)9-7-11-20(3)28(36)21(4)29(37)38-23-16-19(2)15-22-13-14-30(5)31(6,27(22)23)24(32)17-26(35)39-30/h7-15,19,21,23,26-28,35-36H,16-17H2,1-6H3,(H,33,34)/b9-7+,12-8+,18-10-,20-11+/t19-,21?,23-,26+,27+,28?,30+,31+/m0/s1 |
| InChIKey | YKPRQPBIYQBKND-UIYXUNQQSA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C31H40O8 |
| Exact Mass | 540.272318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTHbH1FydNw |
|---|---|
| Name | CALBISTRIN-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O8 |
| InChI | InChI=1S/C31H40O8/c1-18(10-8-12-25(33)34)9-7-11-20(3)28(36)21(4)29(37)38-23-16-19(2)15-22-13-14-30(5)31(6,27(22)23)24(32)17-26(35)39-30/h7-15,19,21,23,26-28,35-36H,16-17H2,1-6H3,(H,33,34)/b9-7+,12-8+,18-10-,20-11+/t19-,21?,23-,26+,27+,28?,30+,31+/m0/s1 |
| InChIKey | YKPRQPBIYQBKND-UIYXUNQQSA-N |
| Literature Reference Author | G.M.BRILL,R.H.CHEN,R.R.RASMUSSEN,D.N.WHITTERN,J.B.MCALPINE |
| Literature Reference Citation | J.ANTIBIOTICS,46,39(1993) |
| Literature Reference DOI | 10.7164/antibiotics.46.39 |
| Molecular Weight | 540.654 g/mol |
| Sample ID | 53427 |
| Solvent | CD3OD |