| SpectraBase Compound ID | 1ZjIJkcyiZK |
|---|---|
| InChI | InChI=1S/C28H48O/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/h7-8,18-26,29H,9-17H2,1-6H3/b8-7+ |
| InChIKey | PRKPDIRLXGMLSU-BQYQJAHWSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C28H48O |
| Exact Mass | 400.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AzmQEI3o98C |
|---|---|
| Name | Ergost-22-en-3-ol, (3.beta.,5.alpha.,22E,24R)- |
| CAS Registry Number | 36422-25-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O |
| InChI | InChI=1S/C28H48O/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/h7-8,18-26,29H,9-17H2,1-6H3/b8-7+ |
| InChIKey | PRKPDIRLXGMLSU-BQYQJAHWSA-N |
| Molecular Weight | 400.691 g/mol |
| SMILES | OC1CC2CCC3C(C2(C)CC1)CCC1(C3CCC1C(\C=C\C(C(C)C)C)C)C |
| SPLASH | splash10-0api-9630000000-d20a67529fcd5effa5f9 |
| Source of Spectrum | AD-0-803-0 |
| Synonyms | (22E)-Ergost-22-en-3-ol 10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol Ergost-22-en-3-ol, (3.alpha.,5.beta.,22E)- 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 5a-Ergost-22-en-3.beta.-ol Spongesterol Spongestrin |
| Wiley ID | 1369783 |