| SpectraBase Compound ID | 5Y8FxPUewqp |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-24(2,29)13-6-14-27(5,30)23-10-9-21-20-8-7-18-17-19(28)11-15-25(18,3)22(20)12-16-26(21,23)4/h7,13-14,19-23,28-30H,8-12,15-17H2,1-5H3/t6?,19-,20-,21-,22-,23-,25-,26-,27-/m0/s1 |
| InChIKey | SLJRUFAMRYTDGB-DMMWGQSCSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7wH6XUrIX6R |
|---|---|
| Name | (20S,22,23R)-cholesta-5,22,23-triene-3.beta.,20,25-triol |
| CAS Registry Number | 123484-48-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-24(2,29)13-6-14-27(5,30)23-10-9-21-20-8-7-18-17-19(28)11-15-25(18,3)22(20)12-16-26(21,23)4/h7,13-14,19-23,28-30H,8-12,15-17H2,1-5H3/t6?,19-,20-,21-,22-,23-,25-,26-,27-/m0/s1 |
| InChIKey | SLJRUFAMRYTDGB-DMMWGQSCSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@](C=C=CC(O)(C)C)(O)C)(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-0aos-0098100000-96481be252f1122ec283 |
| Source of Spectrum | F-45-161-19 |
| Synonyms | (2S)-2-[(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hepta-3,4-diene-2,6-diol (2S)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhepta-3,4-diene-2,6-diol (2S)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hepta-3,4-diene-2,6-diol |
| Wiley ID | 1375697 |