| SpectraBase Compound ID | KCCER36JBAb |
|---|---|
| InChI | InChI=1S/C27H40O3/c1-17(2)9-14-27(29)18(3)22-7-8-24-21-6-5-19-15-20(28)10-12-25(19,4)23(21)11-13-26(22,24)16-30-27/h10,12,15,17-18,21-24,29H,5-9,11,13-14,16H2,1-4H3/t18-,21+,22+,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | ZHPAKFYPMMYZNI-QMNNYTQVSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C27H40O3 |
| Exact Mass | 412.297745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JxmZRJ1UHV |
|---|---|
| Name | CLADIELLIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O3 |
| InChI | InChI=1S/C27H40O3/c1-17(2)9-14-27(29)18(3)22-7-8-24-21-6-5-19-15-20(28)10-12-25(19,4)23(21)11-13-26(22,24)16-30-27/h10,12,15,17-18,21-24,29H,5-9,11,13-14,16H2,1-4H3/t18-,21+,22+,23-,24-,25-,26-,27+/m0/s1 |
| InChIKey | ZHPAKFYPMMYZNI-QMNNYTQVSA-N |
| Literature Reference Author | G.W.ZHANG,X.Q.MA,H.KURIHARA,C.X.ZHANG,X.S.YAO,J.Y.SU,L.M.ZEN G |
| Literature Reference Citation | ORG.LETTERS,7,991(2005) |
| Literature Reference DOI | 10.1021/ol0477475 |
| Molecular Weight | 412.613 g/mol |
| Sample ID | 42530 |
| Solvent | CD3OD |