| SpectraBase Compound ID | DxVzl9uYxcP |
|---|---|
| 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+/m0/s1 |
| InChIKey | QSVJYFLQYMVBDR-CMNOFMQQSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C28H42O |
| Exact Mass | 394.323566 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JmDgoty7gym |
|---|---|
| Name | (3beta,22E)-ergosta-5,7,9(11),22-tetraen-3-ol |
| Alternate Name(s) | 24-Methylcholesta-5,7,9(11),24(28)-tetraen-3b-ol (22E)-ergosta-5,7,9(11),22-tetraen-3.beta.-ol (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol (22E,24S)-24-methylcholesta-5,7,9(11),22-tetraen-3.beta.-ol (3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol (22E,24S)-24-methylcholesta-5,7,9(II),22-tetraen-3b-ol Ergosta-5,7,9(11),22-tetraen-3-ol, (3.beta.,22E,24S)- |
| CAS Registry Number | 85798-12-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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+/m0/s1 |
| InChIKey | QSVJYFLQYMVBDR-CMNOFMQQSA-N |
| Molecular Weight | 394.643 g/mol |
| SMILES | O[C@]1(CC[C@@]2(C=3C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])=CC=C2C1)C)[H] |
| SPLASH | splash10-0ufr-5594000000-524693f5f0ae0c48d50e |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 161317 |