| SpectraBase Compound ID | 2LHfbJqNqhj |
|---|---|
| InChI | InChI=1S/C28H44O2/c1-18(2)7-8-19(3)24-11-12-25-23-10-9-21-17-22(30-20(4)29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-19,22-26H,10-17H2,1-6H3/b8-7+ |
| InChIKey | HJWVRQICRBWPME-BQYQJAHWSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C28H44O2 |
| Exact Mass | 412.334131 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GAjy0yVSTID |
|---|---|
| Name | 26,27-Dinorergosta-5,22-dien-3-ol, acetate, (3.beta.,22E)- |
| CAS Registry Number | 34013-73-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O2 |
| InChI | InChI=1S/C28H44O2/c1-18(2)7-8-19(3)24-11-12-25-23-10-9-21-17-22(30-20(4)29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-19,22-26H,10-17H2,1-6H3/b8-7+ |
| InChIKey | HJWVRQICRBWPME-BQYQJAHWSA-N |
| Molecular Weight | 412.658 g/mol |
| SMILES | CC(C)\C=C\C(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O |
| SPLASH | splash10-0pba-9822000000-cb26dcbf06c01e8012ee |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 26,27-Dinorcholesta-5,22-dien-3.beta.-ol, 24-methyl-, acetate, (E)- Acetic acid [10,13-dimethyl-17-[(E)-5-methylhex-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-[(E)-5-methylhex-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-[(E)-1,4-dimethylpent-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-[(E)-5-methylhex-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1374683 |