| SpectraBase Compound ID | K61pVMDYM26 |
|---|---|
| InChI | InChI=1S/C37H49NO12/c1-10-25(41)48-28-19(4)15-37(45)27(28)30(49-31(42)18(2)3)36(17-46-32(43)22-12-11-13-38-16-22)24(47-20(5)39)14-23-26(34(23,7)8)29(36)35(9,33(37)44)50-21(6)40/h11-13,16,18-19,23-24,26-30,45H,10,14-15,17H2,1-9H3/t19-,23-,24+,26-,27+,28-,29-,30+,35-,36+,37+/m0/s1 |
| InChIKey | KRURFYCUEYWTFI-BGAPUMCSSA-N |
| Mol Weight | 699.8 g/mol |
| Molecular Formula | C37H49NO12 |
| Exact Mass | 699.325476 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOV1Lmo36Wq |
|---|---|
| Name | PREMYRSINOL-3-PROPANOATE-5-ISOBUTYRATE-7,13-DIACETATE-17-NICOTINOATE |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H49NO12 |
| InChI | InChI=1S/C37H49NO12/c1-10-25(41)48-28-19(4)15-37(45)27(28)30(49-31(42)18(2)3)36(17-46-32(43)22-12-11-13-38-16-22)24(47-20(5)39)14-23-26(34(23,7)8)29(36)35(9,33(37)44)50-21(6)40/h11-13,16,18-19,23-24,26-30,45H,10,14-15,17H2,1-9H3/t19-,23-,24+,26-,27+,28-,29-,30+,35-,36+,37+/m0/s1 |
| InChIKey | KRURFYCUEYWTFI-BGAPUMCSSA-N |
| Literature Reference Author | G.APPENDINO,E.BELLORO,G.C.TRON,J.JAKUPOVIC,M.BALLERO |
| Literature Reference Citation | J.NAT.PROD.,62,1399(1999) |
| Literature Reference DOI | 10.1021/np990209u |
| Molecular Weight | 699.796 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS20807 |