| SpectraBase Compound ID | acaagU9vsl |
|---|---|
| InChI | InChI=1S/C29H42N2O7S/c1-18(11-22-13-23(30)15-24(33)14-22)7-6-8-28(38-5)27(36)16-25(34)19(2)12-20(3)26(35)17-29(37)39-10-9-31-21(4)32/h6-8,12-15,19,25-26,28,33-35H,9-11,16-17,30H2,1-5H3,(H,31,32)/b8-6+,18-7+,20-12+/t19-,25+,26+,28+/m0/s1 |
| InChIKey | MYBJJBWGLUQMOT-PNNVYGQQSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C29H42N2O7S |
| Exact Mass | 562.271273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4NvdKBZxnBo |
|---|---|
| Name | MYBJJBWGLUQMOT-PNNVYGQQSA-N |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42N2O7S |
| InChI | InChI=1S/C29H42N2O7S/c1-18(11-22-13-23(30)15-24(33)14-22)7-6-8-28(38-5)27(36)16-25(34)19(2)12-20(3)26(35)17-29(37)39-10-9-31-21(4)32/h6-8,12-15,19,25-26,28,33-35H,9-11,16-17,30H2,1-5H3,(H,31,32)/b8-6+,18-7+,20-12+/t19-,25+,26+,28+/m0/s1 |
| InChIKey | MYBJJBWGLUQMOT-PNNVYGQQSA-N |
| Literature Reference Author | T.FRENZEL,M.BRUNJES,M.QUITSCHALLE,A.KIRSCHNING |
| Literature Reference Citation | ORG.LETTERS,8,135(2006) |
| Literature Reference DOI | 10.1021/ol052588q |
| Molecular Weight | 562.722 g/mol |
| Sample ID | 53327 |
| Solvent | CDCl3 |