| SpectraBase Compound ID | 6RUCgqCo87L |
|---|---|
| InChI | InChI=1S/C30H44O4/c1-6-8-24-20(4)29(33)34-28(24)15-18(2)25-12-13-26-21(9-7-14-30(25,26)5)10-11-22-16-23(31)17-27(32)19(22)3/h10-11,18,23-28,31-32H,3-4,6-9,12-17H2,1-2,5H3/b21-10+,22-11-/t18-,23-,24?,25-,26+,27+,28?,30-/m1/s1 |
| InChIKey | BIJNHUIMVLZCMI-XSKHFOOCSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C30H44O4 |
| Exact Mass | 468.32396 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DKcpnHqH16v |
|---|---|
| Name | 25-Dehydro-1.alpha.-hydroxy-24-propyl-Vitamin D3-26,23-lactone |
| Alternate Name(s) | 25-Dehydro-1.alpha.-hydroxy-24-propyl-[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]-3-methylene-4-propyl-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]-3-methylidene-4-propyloxolan-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]-3-methylidene-4-propyl-oxolan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44O4 |
| InChI | InChI=1S/C30H44O4/c1-6-8-24-20(4)29(33)34-28(24)15-18(2)25-12-13-26-21(9-7-14-30(25,26)5)10-11-22-16-23(31)17-27(32)19(22)3/h10-11,18,23-28,31-32H,3-4,6-9,12-17H2,1-2,5H3/b21-10+,22-11-/t18-,23-,24?,25-,26+,27+,28?,30-/m1/s1 |
| InChIKey | BIJNHUIMVLZCMI-XSKHFOOCSA-N |
| Molecular Weight | 468.678 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(C3CCC)=C)=O)(C)[H])(CC2)[H])(CCC1)C)[H])[H] |
| SPLASH | splash10-0uxr-0210900000-739f49edd9e36f1b691c |
| Source of Spectrum | AF-49-7072-89 |
| Wiley ID | 1694196 |