| SpectraBase Compound ID | 3sAIvA846Pt |
|---|---|
| InChI | InChI=1S/C42H66O16/c1-37(35(52)54-6)11-13-42(36(53)58-34-31(51)29(49)28(48)24(17-43)56-34)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(57-33-30(50)27(47)23(46)18-55-33)39(3,19-44)25(38)9-10-41(26,40)5/h7,21-34,43-51H,8-19H2,1-6H3/t21?,22-,23+,24+,25?,26?,27-,28+,29-,30+,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | XPZGXZBKRPZWMJ-RXFUVPSLSA-N |
| Mol Weight | 827.0 g/mol |
| Molecular Formula | C42H66O16 |
| Exact Mass | 826.435086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8YRZxqN2NQV |
|---|---|
| Name | ESCULENTOSIDE-S |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O16 |
| InChI | InChI=1S/C42H66O16/c1-37(35(52)54-6)11-13-42(36(53)58-34-31(51)29(49)28(48)24(17-43)56-34)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(57-33-30(50)27(47)23(46)18-55-33)39(3,19-44)25(38)9-10-41(26,40)5/h7,21-34,43-51H,8-19H2,1-6H3/t21?,22-,23+,24+,25?,26?,27-,28+,29-,30+,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1 |
| InChIKey | XPZGXZBKRPZWMJ-RXFUVPSLSA-N |
| Literature Reference Author | H.TAKAHASHI,Y.NAMIKAWA,M.TANAKA,Y.FUKUYAMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,246(2001) |
| Literature Reference DOI | 10.1248/cpb.49.246 |
| Molecular Weight | 826.976 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN29004 |