| SpectraBase Compound ID | 7plxII9fQHO |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i18D2 |
| InChIKey | XUGISPSHIFXEHZ-BYTCHUAQSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H462D2O2 |
| Exact Mass | 430.377984 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 | KArpZFxHsHV |
|---|---|
| Name | 4,4-D2-cholesterolacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46D2O2 |
| InChI | InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i18D2 |
| InChIKey | XUGISPSHIFXEHZ-BYTCHUAQSA-N |
| Molecular Weight | 430.713 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4([2D])[2D])[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-014i-7938000000-679838a606df376b284f |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 1380977 |