| SpectraBase Compound ID | Henja9hSssq |
|---|---|
| InChI | InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30-,31-,32-,33-,34-,35-,36-/m0/s1 |
| InChIKey | HKMBLJVHVBJAIH-QPRLZOLLSA-N |
| Mol Weight | 638.9 g/mol |
| Molecular Formula | C37H66O8 |
| Exact Mass | 638.475769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9irgzy9UbzQ |
|---|---|
| Name | C-12,15-CIS-BULLATANOCIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H66O8 |
| InChI | InChI=1S/C37H66O8/c1-3-4-5-6-7-8-12-15-18-31(39)35-23-24-36(45-35)33(41)21-20-32(40)34-22-19-30(44-34)17-14-11-9-10-13-16-29(38)26-28-25-27(2)43-37(28)42/h25,27,29-36,38-41H,3-24,26H2,1-2H3/t27-,29+,30-,31-,32-,33-,34-,35-,36-/m0/s1 |
| InChIKey | HKMBLJVHVBJAIH-QPRLZOLLSA-N |
| Literature Reference Author | Z.M.GU,L.ZENG,J.L.MCLAUGHLIN |
| Literature Reference Citation | HETEROCYCLES,41,229(1995) |
| Literature Reference DOI | 10.3987/COM-94-6943 |
| Molecular Weight | 638.926 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2595 |