| SpectraBase Compound ID | 6QoHCqS5Fr8 |
|---|---|
| InChI | InChI=1S/C42H68F3NO12S/c1-15-18-24-20-17-21-26-29(24)27(58-59(51,52)42(43,44)45)22-25(19-16-2)46(26)33-32(57-37(50)41(12,13)14)31(56-36(49)40(9,10)11)30(55-35(48)39(6,7)8)28(54-33)23-53-34(47)38(3,4)5/h22,24-26,28-33H,15-21,23H2,1-14H3/t24-,25+,26+,28-,29-,30+,31+,32-,33-/m0/s1 |
| InChIKey | MNIMLCFZUBLLPA-DQSUYLHISA-N |
| Mol Weight | 868.1 g/mol |
| Molecular Formula | C42H68F3NO12S |
| Exact Mass | 867.441432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HgZ2bfqKO9A |
|---|---|
| Name | (2R,4AR,5S,8AS)-N-(2,3,4,6-TETRA-O-PIVALOYL-BETA-D-GALACTOPYRANOSYL)-2,5-DI-PROPYL-4-TRIFLUOROMETHANE-SULFONYLOXY-3,4-DIDEHYDRO-DECAHYDROQUINOLINE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68F3NO12S |
| InChI | InChI=1S/C42H68F3NO12S/c1-15-18-24-20-17-21-26-29(24)27(58-59(51,52)42(43,44)45)22-25(19-16-2)46(26)33-32(57-37(50)41(12,13)14)31(56-36(49)40(9,10)11)30(55-35(48)39(6,7)8)28(54-33)23-53-34(47)38(3,4)5/h22,24-26,28-33H,15-21,23H2,1-14H3/t24-,25+,26+,28-,29-,30+,31+,32-,33-/m0/s1 |
| InChIKey | MNIMLCFZUBLLPA-DQSUYLHISA-N |
| Literature Reference Author | M.WEYMANN,M.SCHULZ-KUKULA,S.KNAUER,H.KUNZ |
| Literature Reference Citation | MH.CHEM.,133,571(2002) |
| Literature Reference DOI | 10.1007/s007060200030 |
| Molecular Weight | 868.057 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP4427 |