| SpectraBase Compound ID | IaZGsvcelGP |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-18(6-5-14-27(2,3)31)24-11-12-25-22-9-8-20-16-21(29)17-26(30)23(20)10-7-19(22)13-15-28(24,25)4/h8-10,18-19,21,24-26,29-31H,5-7,11-17H2,1-4H3/b20-8-,22-9+,23-10+/t18-,19-,21-,24-,25+,26+,28-/m1/s1 |
| InChIKey | JDVZLWGRUPBNOD-HKROGOLASA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdkLXwaWBov |
|---|---|
| Name | (9-S)-(19-E)-9,19-METHANO-1-ALPHA,25-DIHYDROXYVITAMIN_D3 |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-18(6-5-14-27(2,3)31)24-11-12-25-22-9-8-20-16-21(29)17-26(30)23(20)10-7-19(22)13-15-28(24,25)4/h8-10,18-19,21,24-26,29-31H,5-7,11-17H2,1-4H3/b20-8-,22-9+,23-10+/t18-,19-,21-,24-,25+,26+,28-/m1/s1 |
| InChIKey | JDVZLWGRUPBNOD-HKROGOLASA-N |
| Literature Reference Author | R.HAYASHI,S.FERNANDEZ,W.H.OKAMURA |
| Literature Reference Citation | ORG.LETTERS,4,851(2002) |
| Literature Reference DOI | 10.1021/ol020017h |
| Molecular Weight | 428.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25362 |