| SpectraBase Compound ID | GXFdSi3TRzE |
|---|---|
| InChI | InChI=1S/C28H42O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h15,18-21,24,29,32H,7-14H2,1-6H3/t15-,18-,19+,20+,21-,24-,25+,26-,27-,28+/m1/s1 |
| InChIKey | UUGCGHAFZPEHIC-OIOGIDCRSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C28H42O4 |
| Exact Mass | 442.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Doc6RnsdsDX |
|---|---|
| Name | TRIPTOCALLINE-A;24,29-DINOR-D:B-FRIEDOOLEAN-4-EN-2-BETA,22-BETA-DIHYDROXY-3,21-DION |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H42O4 |
| InChI | InChI=1S/C28H42O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h15,18-21,24,29,32H,7-14H2,1-6H3/t15-,18-,19+,20+,21-,24-,25+,26-,27-,28+/m1/s1 |
| InChIKey | UUGCGHAFZPEHIC-OIOGIDCRSA-N |
| Literature Reference Author | K.NAKANO,Y.OOSE,Y.TAKAISHI |
| Literature Reference Citation | PHYTOCHEM.,46,1179(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80007-6 |
| Molecular Weight | 442.639 g/mol |
| Sample ID | 65401 |
| Solvent | CDCl3 |