| SpectraBase Compound ID | Lp6IXFhK2wb |
|---|---|
| InChI | InChI=1S/C40H60O4/c1-22(2)39(43)28(41)21-27-36(9)18-11-16-35(7,8)26(36)15-20-38(27)31-29-24(30(32(38)39)40(44,23(3)4)33(31)42)13-14-25-34(5,6)17-12-19-37(25,29)10/h21-23,25-26,30-32,43-44H,11-20H2,1-10H3/t25?,26?,30-,31-,32?,36+,37-,38+,39?,40-/m0/s1 |
| InChIKey | XIBQGXZPEAWMMS-SHOBUBGPSA-N |
| Mol Weight | 604.9 g/mol |
| Molecular Formula | C40H60O4 |
| Exact Mass | 604.44916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdfJiAiB7pD |
|---|---|
| Name | CELASTROIDINE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H60O4 |
| InChI | InChI=1S/C40H60O4/c1-22(2)39(43)28(41)21-27-36(9)18-11-16-35(7,8)26(36)15-20-38(27)31-29-24(30(32(38)39)40(44,23(3)4)33(31)42)13-14-25-34(5,6)17-12-19-37(25,29)10/h21-23,25-26,30-32,43-44H,11-20H2,1-10H3/t25?,26?,30-,31-,32?,36+,37-,38+,39?,40-/m0/s1 |
| InChIKey | XIBQGXZPEAWMMS-SHOBUBGPSA-N |
| Literature Reference Author | M.JIMENEZ-ESTRADA,R.REYES-CHILPA,S.HERNANDEZ-ORTEGA,E.CRISTO BAL-TELESFORO,L.TORR |
| Literature Reference Citation | CAN.J.CHEM.,78,248(2000) |
| Literature Reference DOI | 10.1139/cjc-78-2-248 |
| Molecular Weight | 604.914 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI560 |