| SpectraBase Compound ID | IvBznortfnM |
|---|---|
| InChI | InChI=1S/C46H76O10S2/c1-13-35-33(11)55-45(51,25-37(35)57-15-3)31(9)41(49)29(7)43-27(5)21-17-19-24-40(48)54-44(28(6)22-18-20-23-39(47)53-43)30(8)42(50)32(10)46(52)26-38(58-16-4)36(14-2)34(12)56-46/h17-24,27-38,41-44,49-52H,13-16,25-26H2,1-12H3/b21-17-,22-18-,23-20-,24-19-/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,41+,42+,43?,44?,45+,46+/m0/s1 |
| InChIKey | SRBRKSUZANDQBC-LWHUZXDVSA-N |
| Mol Weight | 853.2 g/mol |
| Molecular Formula | C46H76O10S2 |
| Exact Mass | 852.487991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9drY3zJjyLz |
|---|---|
| Name | SRBRKSUZANDQBC-LWHUZXDVSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H76O10S2 |
| InChI | InChI=1S/C46H76O10S2/c1-13-35-33(11)55-45(51,25-37(35)57-15-3)31(9)41(49)29(7)43-27(5)21-17-19-24-40(48)54-44(28(6)22-18-20-23-39(47)53-43)30(8)42(50)32(10)46(52)26-38(58-16-4)36(14-2)34(12)56-46/h17-24,27-38,41-44,49-52H,13-16,25-26H2,1-12H3/b21-17-,22-18-,23-20-,24-19-/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38+,41+,42+,43?,44?,45+,46+/m0/s1 |
| InChIKey | SRBRKSUZANDQBC-LWHUZXDVSA-N |
| Literature Reference Author | P.HAMMANN,G.KRETZSCHMAR |
| Literature Reference Citation | Z.NATURFORSCH.,45B,515(1990) |
| Molecular Weight | 853.223 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS11671 |