| SpectraBase Compound ID | KR3OUKfYIbj |
|---|---|
| InChI | InChI=1S/C29H45NO3/c1-17-6-9-25(30(16-17)19(3)31)18(2)27-26(33)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-25,27,32H,6,8-16H2,1-5H3/t17?,18?,21-,22+,23-,24-,25?,27?,28-,29-/m0/s1/i15D2,27D |
| InChIKey | PDFDGURKLDHVQW-CNOXPACJSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C29H422D3NO3 |
| Exact Mass | 458.358775 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FSvcpeSA6Mc |
|---|---|
| Name | (22S,25R)-22,26-acetylepimino-3.beta.-hydroxy(15,15,17.alpha.-2H3)cholest-5-en-16-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42D3NO3 |
| InChI | InChI=1S/C29H45NO3/c1-17-6-9-25(30(16-17)19(3)31)18(2)27-26(33)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-25,27,32H,6,8-16H2,1-5H3/t17?,18?,21-,22+,23-,24-,25?,27?,28-,29-/m0/s1/i15D2,27D |
| InChIKey | PDFDGURKLDHVQW-CNOXPACJSA-N |
| Molecular Weight | 458.701 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(C([2D])([2D])C(C4(C(C1N(C(=O)C)CC(CC1)C)C)[2D])=O)[H])C)[H])C)[H] |
| SPLASH | splash10-0007-4900000000-16bca222d9ddf925746d |
| Source of Spectrum | B-32-793-0 |
| Wiley ID | 1389086 |