| SpectraBase Compound ID | BTq3kGQJuWd |
|---|---|
| InChI | InChI=1S/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23?,24+,25?,26-,27+,29+,30-,31+,32+,34-,35+/m1/s1 |
| InChIKey | MGPINEQSKAFLSF-OXJMHHDXSA-N |
| Mol Weight | 678.2 g/mol |
| Molecular Formula | C35H48ClNO10 |
| Exact Mass | 677.296674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DW69U3hlLOl |
|---|---|
| Name | NATURAL-CALLIPELTOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H48ClNO10 |
| InChI | InChI=1S/C35H48ClNO10/c1-19-14-24(13-11-9-8-10-12-23-16-25(23)36)44-28(38)18-35(40)17-27(21(3)29(46-35)20(2)26(15-19)41-6)45-32-31(42-7)34(5)30(22(4)43-32)37-33(39)47-34/h8-9,11,13,15,20-27,29-32,40H,14,16-18H2,1-7H3,(H,37,39)/b9-8+,13-11+,19-15+/t20-,21-,22+,23?,24+,25?,26-,27+,29+,30-,31+,32+,34-,35+/m1/s1 |
| InChIKey | MGPINEQSKAFLSF-OXJMHHDXSA-N |
| Literature Reference Author | D.A.EVANS,E.HU,J.D.BURCH,G.JAESCHKE |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,5654(2002) |
| Literature Reference DOI | 10.1021/ja026235n |
| Molecular Weight | 678.220 g/mol |
| Sample ID | 49087 |
| Solvent | CD3OD |