| SpectraBase Compound ID | ALMN1x4XiL0 |
|---|---|
| InChI | InChI=1S/C20H26O9S/c1-9(2)5-15(22)27-8-12-7-14(29-30(24,25)26)17-11(4)20(23)28-19(17)16-10(3)6-13(21)18(12)16/h6,9,11,14,16-17,19H,5,7-8H2,1-4H3,(H,24,25,26)/t11-,14-,16-,17+,19+/m0/s1 |
| InChIKey | KMJQBGIWWPAQCD-AQCOBUHBSA-N |
| Mol Weight | 442.48 g/mol |
| Molecular Formula | C20H26O9S |
| Exact Mass | 442.129754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmHn3zQwFrm |
|---|---|
| Name | 14-ISOVALEROXYSCORZOAUSTRIACIN_SULFATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H26O9S |
| InChI | InChI=1S/C20H26O9S/c1-9(2)5-15(22)27-8-12-7-14(29-30(24,25)26)17-11(4)20(23)28-19(17)16-10(3)6-13(21)18(12)16/h6,9,11,14,16-17,19H,5,7-8H2,1-4H3,(H,24,25,26)/t11-,14-,16-,17+,19+/m0/s1 |
| InChIKey | KMJQBGIWWPAQCD-AQCOBUHBSA-N |
| Literature Reference Author | Y.ZHU,P.Z.HU,Z.W.HE,Q.X.WU,J.LI,W.S.WU |
| Literature Reference Citation | J.NAT.PROD.,73,237(2010) |
| Literature Reference DOI | 10.1021/np900378c |
| Molecular Weight | 442.481 g/mol |
| Sample ID | 35014 |
| Solvent | ACETONE-D6 |