| SpectraBase Compound ID | 31J3dGuDHgj |
|---|---|
| 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/h12,21,23-25,27-29H,2,8-11,13-19H2,1,3-7H3/t21-,23-,24+,25+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | GIHLUTANCCGVLN-BARFHZGGSA-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 | 8uaoIj16i4S |
|---|---|
| Name | Acetate of 24.beta. - ethyl - 5.alpha. - cholesta - 7,25(27) - dien - 3.beta. - ol |
| Alternate Name(s) | (3beta,5alpha)-stigmasta-7,25-dien-3-yl acetate |
| 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/h12,21,23-25,27-29H,2,8-11,13-19H2,1,3-7H3/t21-,23-,24+,25+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | GIHLUTANCCGVLN-BARFHZGGSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | C=12[C@]3([C@]([C@@]([C@@](CC[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-0079500000-c1bbf979336a062412c7 |
| Source of Spectrum | Va-0-0-0 |
| Wiley ID | 740382 |