| SpectraBase Compound ID | 9445kIe2NHL |
|---|---|
| InChI | InChI=1S/C28H38O12/c1-3-5-11-36-22(31)13-19-18(4-2)27(40-28-25(34)24(33)23(32)21(14-29)39-28)38-15-20(19)26(35)37-12-10-16-6-8-17(30)9-7-16/h4,6-9,15,19,21,23-25,27-30,32-34H,3,5,10-14H2,1-2H3/b18-4-/t19?,21-,23-,24+,25-,27-,28+/m0/s1 |
| InChIKey | ZQHSVBJCCFRPJT-GENZHMTISA-N |
| Mol Weight | 566.6 g/mol |
| Molecular Formula | C28H38O12 |
| Exact Mass | 566.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTkQpvLrOO6 |
|---|---|
| Name | BUTYL-ISOLIGUSTROSIDATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O12 |
| InChI | InChI=1S/C28H38O12/c1-3-5-11-36-22(31)13-19-18(4-2)27(40-28-25(34)24(33)23(32)21(14-29)39-28)38-15-20(19)26(35)37-12-10-16-6-8-17(30)9-7-16/h4,6-9,15,19,21,23-25,27-30,32-34H,3,5,10-14H2,1-2H3/b18-4-/t19?,21-,23-,24+,25-,27-,28+/m0/s1 |
| InChIKey | ZQHSVBJCCFRPJT-GENZHMTISA-N |
| Literature Reference Author | Z.D.HE,S.UEDA,K.INOUE,M.AKAJI,T.FUJITA,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,35,177(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90529-6 |
| Molecular Weight | 566.603 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU24116 |