| SpectraBase Compound ID | Enq4Aufhd4Z |
|---|---|
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | UCTLRSWJYQTBFZ-DDPQNLDTSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C27H44O |
| Exact Mass | 384.339216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 7e0cdlnZtQm |
|---|---|
| Name | Provitamin D3 |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 434-16-2 |
| Comments | Tentative assignment |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O |
| InChI | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | UCTLRSWJYQTBFZ-DDPQNLDTSA-N |
| Melting Point | 147-150C |
| Molecular Weight | 384.65 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |