| SpectraBase Compound ID | 6Hm5oXb1KqL |
|---|---|
| InChI | InChI=1S/C57H108N2O21S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-43(63)54(70)59-41(48(65)42(62)33-30-27-24-22-19-20-23-26-29-32-39(2)3)37-76-55-52(69)51(68)49(66)46(78-55)38-77-57(56(71)72)35-44(64)47(58-40(4)61)53(79-57)50(67)45(36-60)80-81(73,74)75/h39,41-53,55,60,62-69H,5-38H2,1-4H3,(H,58,61)(H,59,70)(H,71,72)(H,73,74,75)/t41-,42+,43+,44-,45?,46+,47+,48-,49+,50?,51-,52+,53+,55+,57+/m0/s1 |
| InChIKey | PYEIIQWDUFFQOH-PXIKMEHFSA-N |
| Mol Weight | 1189.5 g/mol |
| Molecular Formula | C57H108N2O21S |
| Exact Mass | 1188.71653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80oDIdFzzRk |
|---|---|
| Name | OSG-1;ISO-TYPE-OF-SIDE-CHAIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H108N2O21S |
| InChI | InChI=1S/C57H108N2O21S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-43(63)54(70)59-41(48(65)42(62)33-30-27-24-22-19-20-23-26-29-32-39(2)3)37-76-55-52(69)51(68)49(66)46(78-55)38-77-57(56(71)72)35-44(64)47(58-40(4)61)53(79-57)50(67)45(36-60)80-81(73,74)75/h39,41-53,55,60,62-69H,5-38H2,1-4H3,(H,58,61)(H,59,70)(H,71,72)(H,73,74,75)/t41-,42+,43+,44-,45?,46+,47+,48-,49+,50?,51-,52+,53+,55+,57+/m0/s1 |
| InChIKey | PYEIIQWDUFFQOH-PXIKMEHFSA-N |
| Literature Reference Author | M.INAGAKI,M.SHIBAI,R.ISOBE,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,1521(2001) |
| Literature Reference DOI | 10.1248/cpb.49.1521 |
| Molecular Weight | 1189.545 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN29050 |