| SpectraBase Compound ID | KBD9yhmiBYP |
|---|---|
| InChI | InChI=1S/C29H47NO3/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/h7,17-18,21-27,32-33H,6,8-16H2,1-5H3/t17?,18-,21+,22-,23+,24+,25?,26+,27+,28+,29+/m1/s1/i15D,27D/t15?,17?,18-,21+,22-,23+,24+,25?,26+,27+,28+,29+ |
| InChIKey | DLXYWVPYQPBPJB-PTNJITKLSA-N |
| Mol Weight | 459.7 g/mol |
| Molecular Formula | C29H452D2NO3 |
| Exact Mass | 459.368148 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AM7It8lCM3e |
|---|---|
| Name | (22S,25R)-22,26-acetylepimino(15.epsilon.,17.alpha.-2H2)cholest-5-ene-3.beta.,16.beta.-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H45D2NO3 |
| InChI | InChI=1S/C29H47NO3/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/h7,17-18,21-27,32-33H,6,8-16H2,1-5H3/t17?,18-,21+,22-,23+,24+,25?,26+,27+,28+,29+/m1/s1/i15D,27D/t15?,17?,18-,21+,22-,23+,24+,25?,26+,27+,28+,29+ |
| InChIKey | DLXYWVPYQPBPJB-PTNJITKLSA-N |
| Molecular Weight | 459.711 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4[2D])(O)[H])([C@@](C4N(C(=O)C)CC(CC4)C)(C)[H])[2D])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-0006-3900000000-92ab43da32e6439cad59 |
| Source of Spectrum | B-32-293-0 |
| Wiley ID | 1389681 |