| SpectraBase Compound ID | 5rGGPu0qDR3 |
|---|---|
| InChI | InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,19-20,22-25H,8-10,12-18H2,1-7H3 |
| InChIKey | XVNFRBRLEKVOLX-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3A2V3eYzBJc |
|---|---|
| Name | Cholest-7-en-3-one, 4,4-dimethyl-, (5.alpha.)- |
| CAS Registry Number | 2604-90-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h11,19-20,22-25H,8-10,12-18H2,1-7H3 |
| InChIKey | XVNFRBRLEKVOLX-UHFFFAOYSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | C1(CCC2(C(C1(C)C)CC=C1C2CCC2(C1CCC2C(C)CCCC(C)C)C)C)=O |
| SPLASH | splash10-052g-9620100000-f57ba614d3a3d9472dbb |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 4,4-Dimethylcholest-7-en-3-one 17-(1,5-dimethylhexyl)-4,4,10,13-tetramethyl-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one 4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one 5.alpha.-Cholest-7-en-3-one, 4,4-dimethyl- Cholest-7-en-3-one, 4,4-dimethyl- |
| Wiley ID | 58098 |