| SpectraBase Compound ID | F7cTuEeFgAB |
|---|---|
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21?,24-,25+,26?,27+/m0/s1 |
| InChIKey | QYSXJUFSXHHAJI-DGPZQTHBSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yeeBClDfJI |
|---|---|
| Name | VITAMIN-D3 |
| CAS Registry Number | 67-97-0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21?,24-,25+,26?,27+/m0/s1 |
| InChIKey | QYSXJUFSXHHAJI-DGPZQTHBSA-N |
| Literature Reference Author | E.BERMAN,Z.LUZ,Y.MAZUR,M.SHEVES |
| Literature Reference Citation | J.ORG.CHEM.,42,3325(1977) |
| Literature Reference DOI | 10.1021/jo00441a001 |
| Molecular Weight | 384.646 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR5057 |