| SpectraBase Compound ID | GwhWzYmphV0 |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,18,20-25,28-29H,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | DJZMVDQAHDXJDB-GFKLAVDKSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AvVw2zH5yzx |
|---|---|
| Name | (3beta,22R)-cholesta-5,24-diene-3,22-diol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,18,20-25,28-29H,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey | DJZMVDQAHDXJDB-GFKLAVDKSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | O[C@@]([C@]([C@]1(CC[C@]2([C@@]3(CC=C4[C@](CC[C@@](C4)(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(C)[H])(CC=C(C)C)[H] |
| SPLASH | splash10-001i-0009000000-2aadeaf5a0890236df14 |
| Source of Spectrum | SO-0-700-14 |
| Synonyms | (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S,3R)-6-methyl-3-oxidanyl-hept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-2-hydroxy-1,5-dimethyl-hex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1539450 |