| SpectraBase Compound ID | 1QrJcxLuR5O |
|---|---|
| InChI | InChI=1S/C50H74O5/c1-27(2)50(54)30-25-49(39(40(50)52)36-28(30)13-15-32-42(3,4)19-12-20-46(32,36)9)38-31(55-41(49)53)26-44(7)23-24-47(10)29(37(38)44)14-16-34-45(8)21-18-35(51)43(5,6)33(45)17-22-48(34,47)11/h27,29-34,37-39,54H,12-26H2,1-11H3/t29?,30-,31-,32?,33+,34-,37?,38-,39+,44+,45+,46+,47-,48-,49?,50-/m1/s1 |
| InChIKey | JRGUJMJBWVFHGC-NKBGLPPPSA-N |
| Mol Weight | 755.1 g/mol |
| Molecular Formula | C50H74O5 |
| Exact Mass | 754.553625 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EU3PqBp1sUT |
|---|---|
| Name | CELASTROIDINE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H74O5 |
| InChI | InChI=1S/C50H74O5/c1-27(2)50(54)30-25-49(39(40(50)52)36-28(30)13-15-32-42(3,4)19-12-20-46(32,36)9)38-31(55-41(49)53)26-44(7)23-24-47(10)29(37(38)44)14-16-34-45(8)21-18-35(51)43(5,6)33(45)17-22-48(34,47)11/h27,29-34,37-39,54H,12-26H2,1-11H3/t29?,30-,31-,32?,33+,34-,37?,38-,39+,44+,45+,46+,47-,48-,49?,50-/m1/s1 |
| InChIKey | JRGUJMJBWVFHGC-NKBGLPPPSA-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 | 755.135 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI558 |