| SpectraBase Compound ID | 59OL7JKDnpu |
|---|---|
| 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/h18-20,22-25,28H,5-17H2,1-4H3 |
| InChIKey | CISNFNAXIONGJZ-UHFFFAOYSA-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 | K1asRmxFryE |
|---|---|
| Name | Cholestan-3-one, 26-hydroxy-, (5.beta.)- |
| CAS Registry Number | 55530-50-2 |
| 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/h18-20,22-25,28H,5-17H2,1-4H3 |
| InChIKey | CISNFNAXIONGJZ-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | OCC(CCCC(C1C2(C)C(C3C(CC2)C2(C)C(CC3)CC(CC2)=O)CC1)C)C |
| SPLASH | splash10-0ue9-6974500000-7156dc888c47573b54c5 |
| Source of Spectrum | W-10-279-20 |
| Synonyms | 26-Hydroxycholestan-3-one 10,13-dimethyl-17-(6-methyl-7-oxidanyl-heptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 17-(6-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 17-(7-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| Wiley ID | 57383 |