| SpectraBase Compound ID | BbqcKLZATe4 |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h11,19,21-22,25-29H,3,9-10,12-18H2,1-2,4-8H3 |
| InChIKey | ATSVMNCIUVPBNE-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5lfiv2G0Kwu |
|---|---|
| Name | Ergosta-7,24(28)-dien-3-ol, 4-methyl-, acetate, (3.beta.,4.alpha.)- |
| CAS Registry Number | 55399-28-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h11,19,21-22,25-29H,3,9-10,12-18H2,1-2,4-8H3 |
| InChIKey | ATSVMNCIUVPBNE-UHFFFAOYSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCC(C(C)C)=C)C)CC4)=CCC2C(C)C(CC1)OC(C)=O |
| SPLASH | splash10-004i-0059200000-cdc3c54127557c9c8ce6 |
| Source of Spectrum | T-67-4988-0 |
| Synonyms | 4-Methylergosta-7,24(28)-dien-3-yl acetate Ergosta-7,24(28)-dien-3-ol, 4-methyl-, acetate, (3beta,4alpha)- Acetic acid [4,10,13-trimethyl-17-(6-methyl-5-methyleneheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [4,10,13-trimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethyl-4-methylene-hexyl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [4,10,13-trimethyl-17-(6-methyl-5-methylidene-heptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1388927 |