| SpectraBase Compound ID | JP9zRFchSNB |
|---|---|
| InChI | InChI=1S/C32H48O4S/c1-5-6-18-37-30(36)32(16-17-32)29(35)14-9-21(2)25-12-13-26-24(8-7-15-31(25,26)4)11-10-23-19-27(33)22(3)28(34)20-23/h9-11,14,21,25-29,33-35H,3,5-8,12-13,15-20H2,1-2,4H3/b14-9+,24-11+/t21-,25-,26+,27-,28-,29-,31-/m1/s1 |
| InChIKey | FAJLXVAEAZRBLB-UHGNYIEKSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C32H48O4S |
| Exact Mass | 528.327331 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8mwPQ7MRtww |
|---|---|
| Name | (20R,22E,24R)-25-Carbobutylsulfanyl-2-methylene-26,27-cyclo-22-dehydro-1.alpha.,24-dihydroxy-19-norvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H48O4S |
| InChI | InChI=1S/C32H48O4S/c1-5-6-18-37-30(36)32(16-17-32)29(35)14-9-21(2)25-12-13-26-24(8-7-15-31(25,26)4)11-10-23-19-27(33)22(3)28(34)20-23/h9-11,14,21,25-29,33-35H,3,5-8,12-13,15-20H2,1-2,4H3/b14-9+,24-11+/t21-,25-,26+,27-,28-,29-,31-/m1/s1 |
| InChIKey | FAJLXVAEAZRBLB-UHGNYIEKSA-N |
| Ionization Type | EI |
| Molecular Weight | 528.792 g/mol |
| SMILES | O[C@@]1(CC(C[C@](C1=C)(O)[H])=C\C=C\1[C@]2([C@](CCC1)([C@](CC2)([C@](C)(\C=C\[C@](C1(C(SCCCC)=O)CC1)(O)[H])[H])[H])C)[H])[H] |
| SPLASH | splash10-000i-0950000000-c33d34c9ae8b41574bff |
| Source of Spectrum | EP2714656A2 |
| Wiley ID | 1849833 |