| SpectraBase Compound ID | GXxCwkAM7Nl |
|---|---|
| InChI | InChI=1S/C62H104O22S.Na/c1-5-18-40(3)29-48-35-50(69)52(78-48)23-16-15-20-42-31-47(83-77-38-42)21-14-12-10-8-6-7-9-11-13-19-39(2)25-28-54-53(80-54)24-17-22-46(79-62-60(73)59(72)58(71)57(37-63)82-62)34-45(67)33-44(66)32-43(65)26-27-49(68)55-36-51(70)61(84-85(74,75)76)56(81-55)30-41(4)64;/h5,10,12,15-16,31,39,41,43,45-65,67-73H,1,3,6-9,11,13-14,17-30,32-38H2,2,4H3,(H,74,75,76);/q;+1/p-1/b12-10+,16-15+;/t39?,41?,43?,45?,46?,47?,48-,49?,50-,51-,52+,53?,54?,55-,56+,57+,58+,59-,60+,61-,62+;/m1./s1 |
| InChIKey | VPJRICSQLCBZNG-FPZKFHCFSA-M |
| Mol Weight | 1255.5 g/mol |
| Molecular Formula | C62H103NaO22S |
| Exact Mass | 1254.65594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DarwrO862oC |
|---|---|
| Name | VPJRICSQLCBZNG-FPZKFHCFSA-M |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H103NaO22S |
| InChI | InChI=1S/C62H104O22S.Na/c1-5-18-40(3)29-48-35-50(69)52(78-48)23-16-15-20-42-31-47(83-77-38-42)21-14-12-10-8-6-7-9-11-13-19-39(2)25-28-54-53(80-54)24-17-22-46(79-62-60(73)59(72)58(71)57(37-63)82-62)34-45(67)33-44(66)32-43(65)26-27-49(68)55-36-51(70)61(84-85(74,75)76)56(81-55)30-41(4)64;/h5,10,12,15-16,31,39,41,43,45-65,67-73H,1,3,6-9,11,13-14,17-30,32-38H2,2,4H3,(H,74,75,76);/q;+1/p-1/b12-10+,16-15+;/t39?,41?,43?,45?,46?,47?,48-,49?,50-,51-,52+,53?,54?,55-,56+,57+,58+,59-,60+,61-,62+;/m1./s1 |
| InChIKey | VPJRICSQLCBZNG-FPZKFHCFSA-M |
| Literature Reference Author | T.KUBOTA,M.TSUDA,M.TAKAHASHI,M.ISHIBASHI,H.NAOKI,J.I.KOBAYAS HI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3483(1999) |
| Literature Reference DOI | 10.1039/a906296c |
| Molecular Weight | 1255.536 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP12180 |