| SpectraBase Compound ID | 41YJEflU2hF |
|---|---|
| InChI | InChI=1S/C53H100N2O21S/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-39(59)50(66)55-37(44(61)38(58)30-28-26-24-22-20-17-15-13-11-9-7-5-2)34-72-51-48(65)47(64)45(62)42(74-51)35-73-53(52(67)68)32-40(60)43(54-36(3)57)49(75-53)46(63)41(33-56)76-77(69,70)71/h37-49,51,56,58-65H,4-35H2,1-3H3,(H,54,57)(H,55,66)(H,67,68)(H,69,70,71)/t37?,38?,39?,40-,41+,42+,43+,44?,45+,46+,47-,48+,49+,51+,53+/m0/s1 |
| InChIKey | ZDSSPLPNKRIVFW-ZWBQQIMQSA-N |
| Mol Weight | 1133.4 g/mol |
| Molecular Formula | C53H100N2O21S |
| Exact Mass | 1132.653929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jQ1wcP19Ji |
|---|---|
| Name | ZDSSPLPNKRIVFW-ZWBQQIMQSA-N |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H100N2O21S |
| InChI | InChI=1S/C53H100N2O21S/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-39(59)50(66)55-37(44(61)38(58)30-28-26-24-22-20-17-15-13-11-9-7-5-2)34-72-51-48(65)47(64)45(62)42(74-51)35-73-53(52(67)68)32-40(60)43(54-36(3)57)49(75-53)46(63)41(33-56)76-77(69,70)71/h37-49,51,56,58-65H,4-35H2,1-3H3,(H,54,57)(H,55,66)(H,67,68)(H,69,70,71)/t37?,38?,39?,40-,41+,42+,43+,44?,45+,46+,47-,48+,49+,51+,53+/m0/s1 |
| InChIKey | ZDSSPLPNKRIVFW-ZWBQQIMQSA-N |
| Literature Reference Author | K.YAMADA,K.TANABE,T.MIYAMOTO,T.KUSUMOTO,M.INAGAKI,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,734(2008) |
| Literature Reference DOI | 10.1248/cpb.56.734 |
| Molecular Weight | 1133.438 g/mol |
| Sample ID | 1739 |
| Solvent | C5D5N |