| SpectraBase Compound ID | 2byOLxi3xvn |
|---|---|
| InChI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | PUGBZUWUTZUUCP-ZRKHGVCBSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FBfHaZqmPwB |
|---|---|
| Name | Fungisterol |
| Alternate Name(s) | (3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(1R,4S)-1,4,5-trimethylhexyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 5.alpha.-Ergost-7-en-3.beta.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | PUGBZUWUTZUUCP-ZRKHGVCBSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | O[C@]1(CC[C@]2([C@](C1)(CC=C1[C@@]3(CC[C@]([C@@](CC[C@](C)(C(C)C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)[H] |
| SPLASH | splash10-0udi-0082900000-8132a9e837351b1951c3 |
| Source of Spectrum | X4-11-17-0 |
| Wiley ID | 1585025 |