| SpectraBase Compound ID | KvAyYoiD7z7 |
|---|---|
| InChI | InChI=1S/C33H54O4/c1-8-36-31(35)19-24(21(2)3)10-9-22(4)28-13-14-29-27-12-11-25-20-26(37-23(5)34)15-17-32(25,6)30(27)16-18-33(28,29)7/h12,21-22,24-26,28-30H,8-11,13-20H2,1-7H3/t22-,24+,25+,26+,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey | RJJQHRZOIGYGCL-KRZFPLFMSA-N |
| Mol Weight | 514.8 g/mol |
| Molecular Formula | C33H54O4 |
| Exact Mass | 514.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 30KwaiECIZ5 |
|---|---|
| Name | 24s-3.beta.-acetoxy-5a-stigmast-7-en-29-oic acid ethyl eater |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H54O4 |
| InChI | InChI=1S/C33H54O4/c1-8-36-31(35)19-24(21(2)3)10-9-22(4)28-13-14-29-27-12-11-25-20-26(37-23(5)34)15-17-32(25,6)30(27)16-18-33(28,29)7/h12,21-22,24-26,28-30H,8-11,13-20H2,1-7H3/t22-,24+,25+,26+,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey | RJJQHRZOIGYGCL-KRZFPLFMSA-N |
| Molecular Weight | 514.791 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CC[C@@](CC(=O)OCC)(C(C)C)[H])(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](OC(=O)C)(C[C@@]2(CC1)[H])[H])C)[H])[H] |
| SPLASH | splash10-0nmi-0091620000-e66ea692eae1c6edc26d |
| Source of Spectrum | F-42-4846-5 |
| Synonyms | (3beta,5alpha)-29-ethoxy-29-oxostigmast-7-en-3-yl acetate |
| Wiley ID | 1401228 |