| SpectraBase Compound ID | 7rXJouqOpJF |
|---|---|
| InChI | InChI=1S/C28H48O2/c1-18(7-8-19(2)26(3,4)30)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,5)25(22)14-16-28(23,24)6/h9,18-19,21-25,29-30H,7-8,10-17H2,1-6H3 |
| InChIKey | VTJZYXUUWSKREG-UHFFFAOYSA-N |
| Mol Weight | 416.7 g/mol |
| Molecular Formula | C28H48O2 |
| Exact Mass | 416.365431 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9GA86oYCp03 |
|---|---|
| Name | Ergost-5-ene-3,25-diol, (3.beta.)- |
| CAS Registry Number | 56362-42-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48O2 |
| InChI | InChI=1S/C28H48O2/c1-18(7-8-19(2)26(3,4)30)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,5)25(22)14-16-28(23,24)6/h9,18-19,21-25,29-30H,7-8,10-17H2,1-6H3 |
| InChIKey | VTJZYXUUWSKREG-UHFFFAOYSA-N |
| Molecular Weight | 416.690 g/mol |
| SMILES | OC1CC=2C(C3C(C4C(C(C(CCC(C(C)(C)O)C)C)CC4)(C)CC3)CC2)(C)CC1 |
| SPLASH | splash10-00fs-0096100000-05146a8dff7b98fd0a91 |
| Source of Spectrum | Y1-33-1168-6 |
| Synonyms | Ergost-5-ene-3,25-diol 17-(5,6-dimethyl-6-oxidanyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 17-(5-hydroxy-1,4,5-trimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 17-(6-hydroxy-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID | 1526372 |