| SpectraBase Compound ID | 1dJtnJA45AV |
|---|---|
| InChI | InChI=1S/C28H50/c1-19(2)9-7-10-20(3)24-14-15-25-22-12-13-23-21(4)11-8-17-27(23,5)26(22)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21?,22+,23?,24?,25?,26?,27+,28-/m1/s1 |
| InChIKey | AJHKOHJONNVXCK-NQRLITKISA-N |
| Mol Weight | 386.7 g/mol |
| Molecular Formula | C28H50 |
| Exact Mass | 386.391252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 64pGBG56Mxp |
|---|---|
| Name | 4-Methyl-20R-cholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.391251610 u |
| Formula | C28H50 |
| InChI | InChI=1S/C28H50/c1-19(2)9-7-10-20(3)24-14-15-25-22-12-13-23-21(4)11-8-17-27(23,5)26(22)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20-,21?,22+,23?,24?,25?,26?,27+,28-/m1/s1 |
| InChIKey | AJHKOHJONNVXCK-NQRLITKISA-N |
| Molecular Weight | 386.708 g/mol |
| SMILES | [C@@]12(C([C@@]3(CCC4[C@@](C3CC2)(CCCC4C)C)[H])CCC1[C@@](CCCC(C)C)(C)[H])C |