| SpectraBase Compound ID | Eqzf7RlRIgN |
|---|---|
| InChI | InChI=1S/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| Mol Weight | 396.7 g/mol |
| Molecular Formula | C28H44O |
| Exact Mass | 396.339216 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6p64QMmNwUU |
|---|---|
| Name | Ergosterol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O |
| InChI | InChI=1S/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| Molecular Weight | 396.659 g/mol |
| SMILES | O[C@@]1(CC2=CC=C3[C@]4([C@]([C@@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])(CC4)[H])(C)CC[C@@]3([C@]2(CC1)C)[H])[H])[H] |
| SPLASH | splash10-067l-9012000000-99228502a7060c9eb1bb |
| Source of Spectrum | X3-36-172-1 |
| Synonyms | (3beta,22E)-ergosta-5,7,22-trien-3-ol (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1691832 |