| SpectraBase Compound ID | 4fOZKJNq1L5 |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-19-9-10-22(28)18-21(19)13-17-27(30)16-7-15-26(5)23(11-12-24(26)27)20(2)8-6-14-25(3,4)29/h13,17-18,20,22-24,28-30H,1,6-12,14-16H2,2-5H3/b17-13+/t20-,22+,23-,24?,26-,27+/m1/s1 |
| InChIKey | HEEYZOXIDNUWPF-KSRXVJDNSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aoclxw7AVR5 |
|---|---|
| Name | 9,10-SECO-4,6,10(19)-CHOLESTRIEN-3S,8R,25-TRIOL;(VITAMIN-D-DERIVATIVE) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-19-9-10-22(28)18-21(19)13-17-27(30)16-7-15-26(5)23(11-12-24(26)27)20(2)8-6-14-25(3,4)29/h13,17-18,20,22-24,28-30H,1,6-12,14-16H2,2-5H3/b17-13+/t20-,22+,23-,24?,26-,27+/m1/s1 |
| InChIKey | HEEYZOXIDNUWPF-KSRXVJDNSA-N |
| Literature Reference Author | W.REISCHL |
| Literature Reference Citation | MH.CHEM.,120,1185(1989) |
| Literature Reference DOI | 10.1007/BF00809302 |
| Molecular Weight | 416.645 g/mol |
| Solvent | Unknown |
| Source File Reference | UWWR5028 |