| SpectraBase Compound ID | 384qSnoynOa |
|---|---|
| InChI | InChI=1S/C58H88O21/c1-29-46(60)51(69-12)47(61)53(73-29)79-50-32(4)72-45(27-40(50)68-11)78-49-31(3)71-44(26-39(49)67-10)77-48-30(2)70-43(25-38(48)66-9)75-37-19-20-54(7)36(24-37)18-21-57(64)41(54)28-42(76-52(62)35-16-14-13-15-17-35)55(8)56(63,22-23-58(55,57)65)33(5)74-34(6)59/h13-18,29-33,37-51,53,60-61,63-65H,19-28H2,1-12H3/t29?,30?,31?,32?,33-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46+,47+,48-,49+,50-,51-,53-,54+,55-,56-,57+,58-/m1/s1 |
| InChIKey | HBZQTDKRTCFXSV-PAPLVVCMSA-N |
| Mol Weight | 1121.3 g/mol |
| Molecular Formula | C58H88O21 |
| Exact Mass | 1120.58181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAyrjHjn5FK |
|---|---|
| Name | #19;12-O-BENZOYL-20-O-ACETYLSARCOSTIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H88O21 |
| InChI | InChI=1S/C58H88O21/c1-29-46(60)51(69-12)47(61)53(73-29)79-50-32(4)72-45(27-40(50)68-11)78-49-31(3)71-44(26-39(49)67-10)77-48-30(2)70-43(25-38(48)66-9)75-37-19-20-54(7)36(24-37)18-21-57(64)41(54)28-42(76-52(62)35-16-14-13-15-17-35)55(8)56(63,22-23-58(55,57)65)33(5)74-34(6)59/h13-18,29-33,37-51,53,60-61,63-65H,19-28H2,1-12H3/t29?,30?,31?,32?,33-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46+,47+,48-,49+,50-,51-,53-,54+,55-,56-,57+,58-/m1/s1 |
| InChIKey | HBZQTDKRTCFXSV-PAPLVVCMSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1121.324 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20275 |