| SpectraBase Compound ID | 78oFCeJdItl |
|---|---|
| InChI | InChI=1S/C45H67ClO10/c1-25(2)32-22-35(49)28(5)14-12-13-26(3)20-36(50)33-21-29(6)41-34(45(33,23-37(32)51)42(52)53-11)19-27(4)15-16-40(55-31(8)48)44(10)18-17-39(56-44)43(9,46)24-38(41)54-30(7)47/h19,25-26,28,32-34,38-40H,12-18,20-24H2,1-11H3/b27-19+/t26-,28+,32-,33+,34-,38-,39-,40+,43+,44-,45+/m1/s1 |
| InChIKey | KHSKPYMFEBOTGZ-GNGKGGRPSA-N |
| Mol Weight | 803.5 g/mol |
| Molecular Formula | C45H67ClO10 |
| Exact Mass | 802.442276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | e6JpWDvoIL |
|---|---|
| Name | 26,33-DIACETYLXIMAOLIDE_C |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H67ClO10 |
| InChI | InChI=1S/C45H67ClO10/c1-25(2)32-22-35(49)28(5)14-12-13-26(3)20-36(50)33-21-29(6)41-34(45(33,23-37(32)51)42(52)53-11)19-27(4)15-16-40(55-31(8)48)44(10)18-17-39(56-44)43(9,46)24-38(41)54-30(7)47/h19,25-26,28,32-34,38-40H,12-18,20-24H2,1-11H3/b27-19+/t26-,28+,32-,33+,34-,38-,39-,40+,43+,44-,45+/m1/s1 |
| InChIKey | KHSKPYMFEBOTGZ-GNGKGGRPSA-N |
| Literature Reference Author | R.JIA,Y.W.GUO,P.CHEN,Y.M.FANG,E.MOLLO,M.GAVAGNIN,G.CIMINO |
| Literature Reference Citation | J.NAT.PROD.,70,1158(2007) |
| Literature Reference DOI | 10.1021/np060220b |
| Molecular Weight | 803.474 g/mol |
| Sample ID | 30631 |
| Solvent | CDCl3 |