| SpectraBase Compound ID | E6jOFEIETEC |
|---|---|
| InChI | InChI=1S/C41H70N4O8/c1-13-27(5)35(42-39(48)36(26(3)4)43(8)9)40(49)44(10)37(28(6)14-2)33(51-11)24-34(47)45-22-18-21-32(45)38(52-12)29(7)41(50)53-31(25-46)23-30-19-16-15-17-20-30/h15-17,19-20,26-29,31-33,35-38,46H,13-14,18,21-25H2,1-12H3,(H,42,48)/t27-,28+,29+,31+,32-,33+,35+,36-,37-,38+/m1/s1 |
| InChIKey | SFXKEJBUVQPGJV-FTUDNFKJSA-N |
| Mol Weight | 747.0 g/mol |
| Molecular Formula | C41H70N4O8 |
| Exact Mass | 746.519365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1elDpEtZcoc |
|---|---|
| Name | ISODOLASTATIN-H |
| Compound Number | 3-(2S) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H70N4O8 |
| InChI | InChI=1S/C41H70N4O8/c1-13-27(5)35(42-39(48)36(26(3)4)43(8)9)40(49)44(10)37(28(6)14-2)33(51-11)24-34(47)45-22-18-21-32(45)38(52-12)29(7)41(50)53-31(25-46)23-30-19-16-15-17-20-30/h15-17,19-20,26-29,31-33,35-38,46H,13-14,18,21-25H2,1-12H3,(H,42,48)/t27-,28+,29+,31+,32-,33+,35+,36-,37-,38+/m1/s1 |
| InChIKey | SFXKEJBUVQPGJV-FTUDNFKJSA-N |
| Literature Reference Author | H.SONE,T.SHIBATA,T.FUJITA,M.OJIKA,K.YAMADA |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,1874(1996) |
| Literature Reference DOI | 10.1021/ja9519086 |
| Molecular Weight | 747.029 g/mol |
| Sample ID | 38326 |
| Solvent | C6D6 |