| SpectraBase Compound ID | Bt28Jtdxg6h |
|---|---|
| InChI | InChI=1S/C33H38O7/c1-21-18-26(38-30(36)24-14-10-7-11-15-24)29(37-22(2)34)32(5)27(19-25-20-33(21,32)40-31(25,3)4)39-28(35)17-16-23-12-8-6-9-13-23/h6-17,21,25-27,29H,18-20H2,1-5H3/b17-16+/t21-,25-,26+,27+,29+,32-,33+/m1/s1 |
| InChIKey | HIOQJNDUHRMSDY-GVZHLNTISA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C33H38O7 |
| Exact Mass | 546.261754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CJGJfAX44D |
|---|---|
| Name | CELAFOLIN-B3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38O7 |
| InChI | InChI=1S/C33H38O7/c1-21-18-26(38-30(36)24-14-10-7-11-15-24)29(37-22(2)34)32(5)27(19-25-20-33(21,32)40-31(25,3)4)39-28(35)17-16-23-12-8-6-9-13-23/h6-17,21,25-27,29H,18-20H2,1-5H3/b17-16+/t21-,25-,26+,27+,29+,32-,33+/m1/s1 |
| InChIKey | HIOQJNDUHRMSDY-GVZHLNTISA-N |
| Literature Reference Author | Y.TAKAISHI,S.OHSHIMA,K.NAKANO,T.TOMIMATSU,H.TOKUDA,H.NISHINO ,A.IWASHIMA |
| Literature Reference Citation | J.NAT.PROD.,56,815(1993) |
| Literature Reference DOI | 10.1021/np50096a003 |
| Molecular Weight | 546.661 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4111 |