| SpectraBase Compound ID | Bqda4V7zaXn |
|---|---|
| InChI | InChI=1S/C38H51N5O11S/c44-20-27-32(47)33(48)34(49)37(54-27)53-19-18-40-36(51)25(41-35(50)24-15-13-23(14-16-24)31(46)22-8-2-1-3-9-22)10-6-7-17-39-29(45)12-5-4-11-28-30-26(21-55-28)42-38(52)43-30/h1-3,8-9,13-16,25-28,30,32-34,37,44,47-49H,4-7,10-12,17-21H2,(H,39,45)(H,40,51)(H,41,50)(H2,42,43,52)/t25?,26?,27-,28-,30?,32-,33+,34+,37+/m1/s1 |
| InChIKey | BGMMUAKIVKNEPN-ZHDMGOOTSA-N |
| Mol Weight | 785.9 g/mol |
| Molecular Formula | C38H51N5O11S |
| Exact Mass | 785.330579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CxDavckYXlM |
|---|---|
| Name | BGMMUAKIVKNEPN-ZHDMGOOTSA-N |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H51N5O11S |
| InChI | InChI=1S/C38H51N5O11S/c44-20-27-32(47)33(48)34(49)37(54-27)53-19-18-40-36(51)25(41-35(50)24-15-13-23(14-16-24)31(46)22-8-2-1-3-9-22)10-6-7-17-39-29(45)12-5-4-11-28-30-26(21-55-28)42-38(52)43-30/h1-3,8-9,13-16,25-28,30,32-34,37,44,47-49H,4-7,10-12,17-21H2,(H,39,45)(H,40,51)(H,41,50)(H2,42,43,52)/t25?,26?,27-,28-,30?,32-,33+,34+,37+/m1/s1 |
| InChIKey | BGMMUAKIVKNEPN-ZHDMGOOTSA-N |
| Literature Reference Author | M.WIEGAND,T.K.LINDHORST |
| Literature Reference Citation | EUR.J.ORG.CHEM.,4841(2006) |
| Molecular Weight | 785.910 g/mol |
| Sample ID | 44318 |
| Solvent | CD3OD |