| SpectraBase Compound ID | BR4uCCpBft |
|---|---|
| InChI | InChI=1S/C31H50O2/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/h8,12,20-21,24-25,27-29H,9-11,13-19H2,1-7H3/b23-8-/t21-,24+,25+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | DRTNDMHSMAQQDR-XGZLAOQOSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C76oH4nScBH |
|---|---|
| Name | Acetate of avenasterol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/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/h8,12,20-21,24-25,27-29H,9-11,13-19H2,1-7H3/b23-8-/t21-,24+,25+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | DRTNDMHSMAQQDR-XGZLAOQOSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | C=12[C@]3([C@]([C@]([C@@](CC\C(=C\C)C(C)C)(C)[H])([H])CC3)(C)CC[C@@]2([C@]2(CC[C@](OC(=O)C)(C[C@@]2(CC1)[H])[H])C)[H])[H] |
| SPLASH | splash10-03di-0098000000-ed4fa0d7f5a7f8e79d41 |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | (3beta,5alpha,24Z)-stigmasta-7,24(28)-dien-3-yl acetate Acetate of 24-ethyl-5.alpha.-cholesta-7,24(28)E-dien-3.beta.-ol Acetate of RO7-avenasterol |
| Wiley ID | 740380 |