| SpectraBase Compound ID | GeWaWc3pIUB |
|---|---|
| InChI | InChI=1S/C32H48O5/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+,23-10-,24-11+/t21-,25-,26+,27-,28+,29-,31-/m1/s1 |
| InChIKey | IMASPCAHYRBCSG-NURKZQHQSA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C32H48O5 |
| Exact Mass | 512.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DLwJCZDOEvb |
|---|---|
| Name | (22E)-(24R)-25-Carbobutoxy-2-methylene-26,27-cyclo-22-dehydro-1a,24-dihydroxy-19-norvitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H48O5 |
| InChI | InChI=1S/C32H48O5/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+,23-10-,24-11+/t21-,25-,26+,27-,28+,29-,31-/m1/s1 |
| InChIKey | IMASPCAHYRBCSG-NURKZQHQSA-N |
| Ionization Type | EI |
| Molecular Weight | 512.731 g/mol |
| SMILES | O[C@]1(C\C(C[C@](C1=C)(O)[H])=C\C=C/1CCC[C@]2([C@]1(CC[C@@]2([C@@](\C=C\[C@](C1(CC1)C(OCCCC)=O)(O)[H])(C)[H])[H])[H])C)[H] |
| SPLASH | splash10-052r-0690120000-9326649ce7e39fc521a5 |
| Source of Spectrum | US7915242B2 |
| Wiley ID | 1861276 |