| SpectraBase Compound ID | D9VCQtF4v8c |
|---|---|
| InChI | InChI=1S/C34H52O12S/c1-17-9-14-34(41-16-17)18(2)26-25(45-34)15-24-22-10-13-33(38)30(44-21(5)37)27(42-19(3)35)28(46-47(8,39)40)29(43-20(4)36)32(33,7)23(22)11-12-31(24,26)6/h17-18,22-30,38H,9-16H2,1-8H3/t17-,18+,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33+,34-/m1/s1 |
| InChIKey | UXLWYNVRFBGEHA-DXOIVRGQSA-N |
| Mol Weight | 684.8 g/mol |
| Molecular Formula | C34H52O12S |
| Exact Mass | 684.317948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRcolIZFaxx |
|---|---|
| Name | 1,3,4-O-TRIACETYL-2-METHYLSULFONYL-NEOPENTOLOGENIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O12S |
| InChI | InChI=1S/C34H52O12S/c1-17-9-14-34(41-16-17)18(2)26-25(45-34)15-24-22-10-13-33(38)30(44-21(5)37)27(42-19(3)35)28(46-47(8,39)40)29(43-20(4)36)32(33,7)23(22)11-12-31(24,26)6/h17-18,22-30,38H,9-16H2,1-8H3/t17-,18+,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33+,34-/m1/s1 |
| InChIKey | UXLWYNVRFBGEHA-DXOIVRGQSA-N |
| Literature Reference Author | T.KONISHI,S.KIYOSAWA,J.SHOJI |
| Literature Reference Citation | CHEM.PHARM.BULL.,32,1451(1984) |
| Literature Reference DOI | 10.1248/cpb.32.1451 |
| Molecular Weight | 684.840 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17023 |