| SpectraBase Compound ID | 3LBUPK8Dcq5 |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21?,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | FYHRJWMENCALJY-DRRVSFDKSA-N |
| Mol Weight | 402.7 g/mol |
| Molecular Formula | C27H46O2 |
| Exact Mass | 402.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I3B0wKnGZTq |
|---|---|
| Name | (25R)-26-Hydroxycholesterol |
| CAS Registry Number | 20380-11-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18-,19-,21?,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | FYHRJWMENCALJY-DRRVSFDKSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | OC1CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@](CCC[C@](CO)(C)[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C |
| SPLASH | splash10-0gc3-0029300000-67a123a9fbf9b9c2bac9 |
| Source of Spectrum | K-112-2685-0 |
| Synonyms | 27-Hydroxycholesterol Cholest-5-ene-3,26,diol, (3beta,25R)- Cholest-5-ene-3beta,26-diol, (25R)- Cholest-5-ene-3beta,27-diol (8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-7-oxidanyl-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1370670 |