| SpectraBase Compound ID | K490EWNcvBk |
|---|---|
| InChI | InChI=1S/C28H46O/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/h7-8,12,18-24,26,29H,9-11,13-17H2,1-6H3/b8-7+ |
| InChIKey | ZMEMWXVNBZGZGA-BQYQJAHWSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1ZYuZHcNTU |
|---|---|
| Name | Ergosta-14,22-dien-3-ol, (3.beta.,5.alpha.,22E)- |
| CAS Registry Number | 55514-97-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/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/h7-8,12,18-24,26,29H,9-11,13-17H2,1-6H3/b8-7+ |
| InChIKey | ZMEMWXVNBZGZGA-BQYQJAHWSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | OC1CC2CCC3C4=CCC(C(\C=C\C(C(C)C)C)C)C4(CCC3C2(CC1)C)C |
| SPLASH | splash10-0aou-9520000000-93e577d87a0d86741e61 |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | (22E)-Ergosta-14,22-dien-3-ol 10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 740569 |