| SpectraBase Compound ID | D8IdCtBlO5f |
|---|---|
| InChI | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,25,29H,6-16H2,1-5H3 |
| InChIKey | TYVUTFWURHMKHD-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 | GeLzn5eVQ5q |
|---|---|
| Name | 2-Hydroxycholestan-3-one |
| Alternate Name(s) | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 17-(1,5-dimethylhexyl)-2-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 2-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 1452-35-3 |
| Comments | Less than 3 mono-isotopic peaks |
| 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)21-11-12-22-20-10-9-19-15-24(28)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,25,29H,6-16H2,1-5H3 |
| InChIKey | TYVUTFWURHMKHD-UHFFFAOYSA-N |
| Molecular Weight | 402.663 g/mol |
| SMILES | OC1C(CC2C(C1)(C1C(CC2)C2C(CC1)(C(CC2)C(CCCC(C)C)C)C)C)=O |
| SPLASH | splash10-0f6t-0090500000-2b43f157bd3354bf76d4 |
| Source of Spectrum | KC-1990-1243-12 |
| Wiley ID | 1370698 |