| SpectraBase Compound ID | BEV6PKYKBiC |
|---|---|
| InChI | InChI=1S/C37H69N3O7S/c1-24(2)33(47-48(44,45)46)13-10-25(3)29-11-12-30-34-31(15-17-37(29,30)6)36(5)16-14-28(22-27(36)23-32(34)42)39-21-9-19-38-18-7-8-20-40-35(43)26(4)41/h24-34,38-39,41-42H,7-23H2,1-6H3,(H,40,43)(H,44,45,46)/t25-,26?,27-,28+,29-,30+,31+,32-,33-,34+,36+,37-/m1/s1 |
| InChIKey | MJKZLAFHUQPHGZ-CKHRDTSUSA-N |
| Mol Weight | 700.0 g/mol |
| Molecular Formula | C37H69N3O7S |
| Exact Mass | 699.485623 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2PRc2pqSMp |
|---|---|
| Name | DEGRADANT_A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H69N3O7S |
| InChI | InChI=1S/C37H69N3O7S/c1-24(2)33(47-48(44,45)46)13-10-25(3)29-11-12-30-34-31(15-17-37(29,30)6)36(5)16-14-28(22-27(36)23-32(34)42)39-21-9-19-38-18-7-8-20-40-35(43)26(4)41/h24-34,38-39,41-42H,7-23H2,1-6H3,(H,40,43)(H,44,45,46)/t25-,26?,27-,28+,29-,30+,31+,32-,33-,34+,36+,37-/m1/s1 |
| InChIKey | MJKZLAFHUQPHGZ-CKHRDTSUSA-N |
| Literature Reference Author | C.J.LI,U.P.KARI,L.A.NOECKER,S.R.JONES,A.M.SABO,T.J.MCCORMICK ,S.M.JOHNSTON |
| Literature Reference Citation | J.PHARM.BIOM.ANAL.,32,85(2003) |
| Molecular Weight | 700.031 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ45158 |