| SpectraBase Compound ID | 4u1v7xdbfLI |
|---|---|
| InChI | InChI=1S/C29H42O4/c1-6-23-19(4)28(32)33-27(23)14-17(2)24-11-12-25-20(8-7-13-29(24,25)5)9-10-21-15-22(30)16-26(31)18(21)3/h9-10,17,22-27,30-31H,3-4,6-8,11-16H2,1-2,5H3/b20-9+,21-10-/t17-,22-,23?,24-,25+,26+,27?,29-/m1/s1 |
| InChIKey | QWXOVSHMPIHALD-OUZWNNTCSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C29H42O4 |
| Exact Mass | 454.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E6blm0n3Jhw |
|---|---|
| Name | 25-Dehydro-1.alpha.-hydroxy-24-ethyl-Vitamin D3-26,23-lactone |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42O4 |
| InChI | InChI=1S/C29H42O4/c1-6-23-19(4)28(32)33-27(23)14-17(2)24-11-12-25-20(8-7-13-29(24,25)5)9-10-21-15-22(30)16-26(31)18(21)3/h9-10,17,22-27,30-31H,3-4,6-8,11-16H2,1-2,5H3/b20-9+,21-10-/t17-,22-,23?,24-,25+,26+,27?,29-/m1/s1 |
| InChIKey | QWXOVSHMPIHALD-OUZWNNTCSA-N |
| Molecular Weight | 454.651 g/mol |
| SMILES | O[C@@]1(C\C(C([C@](C1)(O)[H])=C)=C/C=C/1[C@]2([C@@]([C@@]([C@@](CC3OC(C(C3CC)=C)=O)(C)[H])(CC2)[H])(CCC1)C)[H])[H] |
| SPLASH | splash10-000i-0010900000-3d693e37a64b035c5780 |
| Source of Spectrum | AF-49-7070-73 |
| Synonyms | 25-Dehydro-1.alpha.-hydroxy-24-ethyl-[9',10'-seco-cholesta-5',7',10'(19')-trien-3'-yl]-26,23-Lactone 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-ethyl-3-methylene-2-oxolanone 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-ethyl-3-methylideneoxolan-2-one 5-[(2R)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-ethyl-3-methylidene-oxolan-2-one |
| Wiley ID | 1694199 |