| SpectraBase Compound ID | KEyKyJQLwS0 |
|---|---|
| InChI | InChI=1S/C27H44O2/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/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3 |
| InChIKey | NFZDPXCPUNTQJE-UHFFFAOYSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1VGtZF6JK1Z |
|---|---|
| Name | 2-Hydroxycholest-4-en-3-one |
| Alternate Name(s) | 10,13-dimethyl-17-(6-methylheptan-2-yl)-2-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 17-(1,5-dimethylhexyl)-2-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 2-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 571-15-3 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/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/h15,17-18,20-23,25,29H,6-14,16H2,1-5H3 |
| InChIKey | NFZDPXCPUNTQJE-UHFFFAOYSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | OC1C(C=C2C(C1)(C1CCC3(C(C1CC2)CCC3C(CCCC(C)C)C)C)C)=O |
| SPLASH | splash10-0zfr-0007900000-1dc1c567fd03c8aed850 |
| Source of Spectrum | J-43-1601-0 |
| Wiley ID | 1369715 |