| SpectraBase Compound ID | 69eH5uFc974 |
|---|---|
| InChI | InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-10,12,21,23-25,27-29H,2,8,11,13-19H2,1,3-7H3/b10-9+/t21-,23-,24+,25+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | YOXXESRXSQRNHU-LSEHKVPYSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C31H48O2 |
| Exact Mass | 452.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2PswBlBnEuG |
|---|---|
| Name | Acetate of 24.beta. - ethyl - 5.alpha. - cholesta - 7,22E,25(27) - trien - 3.beta. - ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H48O2 |
| InChI | InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-10,12,21,23-25,27-29H,2,8,11,13-19H2,1,3-7H3/b10-9+/t21-,23-,24+,25+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | YOXXESRXSQRNHU-LSEHKVPYSA-N |
| Molecular Weight | 452.723 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](\C=C\[C@](C(=C)C)(CC)[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 | splash10-03di-0079300000-9ec8afe253787b216c7e |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | (3beta,5alpha,22E)-stigmasta-7,22,25-trien-3-yl acetate |
| Wiley ID | 740384 |