| SpectraBase Compound ID | ApwgtrpYnev |
|---|---|
| InChI | InChI=1S/C28H40O4/c1-16(13-26-17(2)18(3)27(31)32-26)23-10-11-24-20(7-6-12-28(23,24)5)8-9-21-14-22(29)15-25(30)19(21)4/h8-9,16-17,22-26,29-30H,3-4,6-7,10-15H2,1-2,5H3/b20-8+,21-9-/t16-,17?,22-,23-,24+,25+,26?,28-/m1/s1 |
| InChIKey | RBARJWNZIPXVBN-OOXIYBAVSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C28H40O4 |
| Exact Mass | 440.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1HdaN3zoydr |
|---|---|
| Name | 25-Dehydro-1.alpha.-hydroxy-24-methyl-Vitamin D3-26,23-lactone |
| Alternate Name(s) | 25-Dehydro-1.alpha.-hydroxy-24-methyl-[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-methyl-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-methyl-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-methyl-3-methylidene-oxolan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H40O4 |
| InChI | InChI=1S/C28H40O4/c1-16(13-26-17(2)18(3)27(31)32-26)23-10-11-24-20(7-6-12-28(23,24)5)8-9-21-14-22(29)15-25(30)19(21)4/h8-9,16-17,22-26,29-30H,3-4,6-7,10-15H2,1-2,5H3/b20-8+,21-9-/t16-,17?,22-,23-,24+,25+,26?,28-/m1/s1 |
| InChIKey | RBARJWNZIPXVBN-OOXIYBAVSA-N |
| Molecular Weight | 440.624 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(C3C)=C)=O)(C)[H])(CC2)[H])(CCC1)C)[H])[H] |
| SPLASH | splash10-0fk9-0100900000-4783d01ff9e7f1603730 |
| Source of Spectrum | AF-49-7070-72 |
| Wiley ID | 1694200 |