| SpectraBase Compound ID | BurqfxEqKjm |
|---|---|
| InChI | InChI=1S/C36H50O16/c1-17-15-46-36(14-24(17)49-25(38)12-9-20-7-5-4-6-8-20)35(45,16-37)22-11-10-21(13-23(22)52-36)32(44)51-34-31(29(42)27(40)19(3)48-34)50-33-30(43)28(41)26(39)18(2)47-33/h4-9,12,17-19,21-24,26-31,33-34,37,39-43,45H,10-11,13-16H2,1-3H3/b12-9+/t17-,18-,19+,21+,22+,23-,24+,26-,27+,28+,29-,30-,31+,33+,34-,35+,36+/m0/s1 |
| InChIKey | NFIKENQZHUEHDM-ASUSNMAESA-N |
| Mol Weight | 738.8 g/mol |
| Molecular Formula | C36H50O16 |
| Exact Mass | 738.309886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14fOoEryOMD |
|---|---|
| Name | DIDESACETYLPHYLLANTHOSTATIN-3 |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O16 |
| InChI | InChI=1S/C36H50O16/c1-17-15-46-36(14-24(17)49-25(38)12-9-20-7-5-4-6-8-20)35(45,16-37)22-11-10-21(13-23(22)52-36)32(44)51-34-31(29(42)27(40)19(3)48-34)50-33-30(43)28(41)26(39)18(2)47-33/h4-9,12,17-19,21-24,26-31,33-34,37,39-43,45H,10-11,13-16H2,1-3H3/b12-9+/t17-,18-,19+,21+,22+,23-,24+,26-,27+,28+,29-,30-,31+,33+,34-,35+,36+/m0/s1 |
| InChIKey | NFIKENQZHUEHDM-ASUSNMAESA-N |
| Literature Reference Author | G.R.PETTIT,D.E.SCHAUFELBERGER,R.A.NIEMAN,C.DUFRESNE,J.A.SAEN Z-RENAULD |
| Literature Reference Citation | J.NAT.PROD.,53,1406(1990) |
| Literature Reference DOI | 10.1021/np50072a002 |
| Molecular Weight | 738.783 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS23641 |