| SpectraBase Compound ID | Aanq0Sce8un |
|---|---|
| InChI | InChI=1S/C31H42O8/c1-19(10-8-12-26(34)35)9-7-11-21(3)28(36)22(4)29(37)39-24-18-20(2)17-23-13-15-30(5,38)31(6,27(23)24)25(33)14-16-32/h7-13,15,17,20,22,24,27-28,32,36,38H,14,16,18H2,1-6H3,(H,34,35)/b9-7+,12-8+,19-10-,21-11+/t20-,22?,24-,27+,28?,30+,31+/m0/s1 |
| InChIKey | VBTJSQZQYFMROV-CFDYYLNNSA-N |
| Mol Weight | 542.7 g/mol |
| Molecular Formula | C31H42O8 |
| Exact Mass | 542.287968 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BFJFuCUkhrc |
|---|---|
| Name | CALBISTRIN-D |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O8 |
| InChI | InChI=1S/C31H42O8/c1-19(10-8-12-26(34)35)9-7-11-21(3)28(36)22(4)29(37)39-24-18-20(2)17-23-13-15-30(5,38)31(6,27(23)24)25(33)14-16-32/h7-13,15,17,20,22,24,27-28,32,36,38H,14,16,18H2,1-6H3,(H,34,35)/b9-7+,12-8+,19-10-,21-11+/t20-,22?,24-,27+,28?,30+,31+/m0/s1 |
| InChIKey | VBTJSQZQYFMROV-CFDYYLNNSA-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 | 542.670 g/mol |
| Sample ID | 53429 |
| Solvent | CD3OD |