| SpectraBase Compound ID | Ehft8cVUIou |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)25(21)24(29)16-27(22,23)5/h17-23,25,28H,6-16H2,1-5H3 |
| InChIKey | LWLSBJVWAPMGJG-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 | CCqZkU8JkFE |
|---|---|
| Name | Cholestan-11-one, 3-hydroxy-, (3.beta.,5.alpha.,8.alpha.,14.beta.)- |
| CAS Registry Number | 69454-70-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46O2 |
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)25(21)24(29)16-27(22,23)5/h17-23,25,28H,6-16H2,1-5H3 |
| InChIKey | LWLSBJVWAPMGJG-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | OC1CCC2(C(C1)CCC1C2C(=O)CC2(C1CCC2C(CCCC(C)C)C)C)C |
| SPLASH | splash10-0a4l-4951000000-7e945a9f3351bd8a6bbf |
| Source of Spectrum | O-15-44-3 |
| Synonyms | 3-Hydroxycholestan-11-one 10,13-dimethyl-17-(6-methylheptan-2-yl)-3-oxidanyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one 11-Oxo-5.alpha.,8.alpha.,14.beta.-cholestan-3.beta.-ol 11-Oxo-5.alpha.,8.alpha.,9.beta.,14.beta.-cholestan-3.beta.-ol 17-(1,5-dimethylhexyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one 3-Hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one |
| Wiley ID | 1370667 |