| SpectraBase Compound ID | 5Y9bJe9LFAO |
|---|---|
| InChI | InChI=1S/C27H46O4/c1-15(2)6-9-22(28)16(3)18-7-8-19-17-12-23(29)21-13-24(30)25(31)14-27(21,5)20(17)10-11-26(18,19)4/h15-22,24-25,28,30-31H,6-14H2,1-5H3/t16-,17-,18+,19-,20-,21-,22-,24+,25+,26+,27+/m0/s1 |
| InChIKey | JLXMSWDBELTBRO-NNINNBPOSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C27H46O4 |
| Exact Mass | 434.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqMijhU9k4b |
|---|---|
| Name | ECDYSTERONE;2-ALPHA,3-BETA-(22R)-TRIHYDROXY-CHOLESTAN-6-ONE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O4 |
| InChI | InChI=1S/C27H46O4/c1-15(2)6-9-22(28)16(3)18-7-8-19-17-12-23(29)21-13-24(30)25(31)14-27(21,5)20(17)10-11-26(18,19)4/h15-22,24-25,28,30-31H,6-14H2,1-5H3/t16-,17-,18+,19-,20-,21-,22-,24+,25+,26+,27+/m0/s1 |
| InChIKey | JLXMSWDBELTBRO-NNINNBPOSA-N |
| Literature Reference Author | Y.H.CHOI,J.KIM,Y.H.CHOI |
| Literature Reference Citation | PHYTOCHEM.,51,453(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00056-4 |
| Molecular Weight | 434.660 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC336 |