| SpectraBase Compound ID | 6mhtauxR2rY |
|---|---|
| InChI | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)23-10-11-24-26-20(4)16-21-17-22(29)12-14-27(21,5)25(26)13-15-28(23,24)6/h16,18-20,22-26,29H,7-15,17H2,1-6H3/t19-,20+,22+,23-,24+,25+,26+,27+,28-/m1/s1 |
| InChIKey | XHOOXFKEWFALGT-QCLFCMPKSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3n2kOR7rSPX |
|---|---|
| Name | 7.beta.-Methylcholesterol |
| Alternate Name(s) | (3S,7R,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-Dimethyl-hexyl)-7,10,13-trimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (7beta)-7-methylcholest-5-en-3-ol (3S,7R,8S,9S,10R,13R,14S,17R)-7,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)23-10-11-24-26-20(4)16-21-17-22(29)12-14-27(21,5)25(26)13-15-28(23,24)6/h16,18-20,22-26,29H,7-15,17H2,1-6H3/t19-,20+,22+,23-,24+,25+,26+,27+,28-/m1/s1 |
| InChIKey | XHOOXFKEWFALGT-QCLFCMPKSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@](C=C2C1)(C)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0fri-0009400000-604e9b70f847ffca344f |
| Source of Spectrum | QC-9-1631-5 |
| Wiley ID | 870502 |