| SpectraBase Compound ID | 8VUuiyaeLaZ |
|---|---|
| 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-KZIHABCESA-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 | MKju8Y2PHe |
|---|---|
| Name | Ergosta-5,7,22-trien-3-ol, (3.beta.,22E)- |
| CAS Registry Number | 57-87-4 |
| 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-KZIHABCESA-N |
| Molecular Weight | 396.659 g/mol |
| SMILES | O[C@@]1(CC2=CC=C3C4[C@]([C@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])([H])CC4)(C)CCC3[C@]2(CC1)C)[H] |
| SPLASH | splash10-03dj-0039000000-e8a95e7c57a68de43bc4 |
| Source of Spectrum | X4-22-185-0 |
| Synonyms | Ergosterol (22E)-Ergosta-5,7,22-trien-3-ol (22E)-ergosta-5,7,22-trien-3.beta.-ol (3.beta.)-Ergosta-5,7,22- trien-3-ol (3beta,22E)-ergosta-5,7,22-trien-3-ol (3S,10R,13R,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,10R,13R,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 Ergosta-5,7,22-trien-3-ol Ergosta-5,7,22-trien-3-ol, (3beta,22E)- Ergosterin Ergosterine Provitamin D Provitamin D2 AI3-18876 CCRIS 7220 EINECS 200-352-7 HSDB 395 |
| Wiley ID | 1585935 |