| SpectraBase Compound ID | G99qBB8KzKO |
|---|---|
| InChI | InChI=1S/C33H58O2/c1-21(2)23(4)31(6,7)17-14-22(3)28-12-13-29-27-11-10-25-20-26(35-24(5)34)15-18-32(25,8)30(27)16-19-33(28,29)9/h21-23,25-30H,10-20H2,1-9H3/t22-,23?,25+,26+,27+,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey | AFLZVEWGXVCLOS-VOSKSYJGSA-N |
| Mol Weight | 486.8 g/mol |
| Molecular Formula | C33H58O2 |
| Exact Mass | 486.443681 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fv2DANNdANx |
|---|---|
| Name | 24,24,26,26-Tetramethyl-5.alpha.-cholestan-3.beta.-ol - Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H58O2 |
| InChI | InChI=1S/C33H58O2/c1-21(2)23(4)31(6,7)17-14-22(3)28-12-13-29-27-11-10-25-20-26(35-24(5)34)15-18-32(25,8)30(27)16-19-33(28,29)9/h21-23,25-30H,10-20H2,1-9H3/t22-,23?,25+,26+,27+,28-,29+,30+,32+,33-/m1/s1 |
| InChIKey | AFLZVEWGXVCLOS-VOSKSYJGSA-N |
| Molecular Weight | 486.825 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(C(C(C)C)C)(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0aor-0096200000-b2848b5e14975aaa9e5c |
| Source of Spectrum | X4-21-223-0 |
| Synonyms | (1S,2S,5S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-5,5,6,7-tetramethyloctan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate Acetic acid [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,5,6,7-tetramethyloctan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,5,6,7-tetramethyloctan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,4,4,5,6-pentamethylheptyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5,5,6,7-tetramethyloctan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1585826 |