| SpectraBase Compound ID | Ky3cTC4I6Y4 |
|---|---|
| InChI | InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1/i6D,7D/t6?,7?,20-,21?,22+,23-,24+,25+,26+,27- |
| InChIKey | XIIAYQZJNBULGD-CVLGLRGQSA-N |
| Mol Weight | 374.7 g/mol |
| Molecular Formula | C27H462D2 |
| Exact Mass | 374.388155 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3UCwSFhSePi |
|---|---|
| Name | Cholestane-2,3-D2 |
| CAS Registry Number | 15910-24-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H46D2 |
| InChI | InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1/i6D,7D/t6?,7?,20-,21?,22+,23-,24+,25+,26+,27- |
| InChIKey | XIIAYQZJNBULGD-CVLGLRGQSA-N |
| Molecular Weight | 374.693 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@]([C@]3(CC2)[H])(C)CC(C([2D])C4)[2D])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-00xr-6973000000-bbd628cff0b09e7d2a8d |
| Source of Spectrum | AD-0-232-0 |
| Wiley ID | 54667 |