| SpectraBase Spectrum ID |
2o0429AZDzU |
| Name |
Ergosta-5,7,9(11),22-tetraen-3b-ol |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
394.323565971 u |
| Formula |
C28H42O |
| InChI |
InChI=1S/C28H42O/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/h7-10,14,18-20,22,24-25,29H,11-13,15-17H2,1-6H3/b8-7+/t19?,20-,22+,24-,25+,27+,28-/m1/s1 |
| InChIKey |
QSVJYFLQYMVBDR-MNERHCTBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
394.643 g/mol |
| Nominal Mass |
394 u |
| Quality |
918 |
| Retention Index |
2964 |
| SMILES |
O[C@@]1(CC=2[C@@](C=3C([C@]4([C@@]([C@](CC4)([C@@](\C=C\C(C(C)C)C)(C)[H])[H])(CC3)C)[H])=CC2)(CC1)C)[H] |
| SPLASH |
splash10-0udi-7892000000-861d85a444634cdb9f9e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3b,22E)Ergosta-5,7,9(11),22-tetraen-3-ol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022587 |
