| SpectraBase Compound ID | Cix4ofVuZUE |
|---|---|
| InChI | InChI=1S/C31H52O2/c1-8-23(20(2)3)19-29(33-22(5)32)21(4)26-14-15-27-25-13-12-24-11-9-10-17-30(24,6)28(25)16-18-31(26,27)7/h9-10,20-21,23-29H,8,11-19H2,1-7H3/t21-,23+,24?,25-,26+,27-,28-,29?,30-,31+/m0/s1/i9D,10D,11D,17D2/t11?,21-,23+,24?,25-,26+,27-,28-,29?,30-,31+ |
| InChIKey | WGNIVRLSARLSNE-WGWLRDEDSA-N |
| Mol Weight | 461.8 g/mol |
| Molecular Formula | C31H472D5O2 |
| Exact Mass | 461.428115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GeKJw0EzJYn |
|---|---|
| Name | 3.beta.-pentadeutero-stigmasten-22-ol acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H47D5O2 |
| InChI | InChI=1S/C31H52O2/c1-8-23(20(2)3)19-29(33-22(5)32)21(4)26-14-15-27-25-13-12-24-11-9-10-17-30(24,6)28(25)16-18-31(26,27)7/h9-10,20-21,23-29H,8,11-19H2,1-7H3/t21-,23+,24?,25-,26+,27-,28-,29?,30-,31+/m0/s1/i9D,10D,11D,17D2/t11?,21-,23+,24?,25-,26+,27-,28-,29?,30-,31+ |
| InChIKey | WGNIVRLSARLSNE-WGWLRDEDSA-N |
| Molecular Weight | 461.786 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(C(C(=C([2D])C4[2D])[2D])([2D])[2D])C)[H])(CC[C@@]1([C@@](C(OC(=O)C)C[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-0a4i-0098400000-322a1d79118f47f5a080 |
| Source of Spectrum | R-7-163-12 |
| Wiley ID | 1389557 |