| SpectraBase Compound ID | 3iuaSFaZYsT |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,19-21,23-28H,10-18H2,1-7H3/b9-8+ |
| InChIKey | LQYOPAXXSAPFCV-CMDGGOBGSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2D30sBUT8S |
|---|---|
| Name | (22E)-Ergost-22-en-3-yl acetate |
| CAS Registry Number | 55515-02-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,19-21,23-28H,10-18H2,1-7H3/b9-8+ |
| InChIKey | LQYOPAXXSAPFCV-CMDGGOBGSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | CC(C)C(C)\C=C\C(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC(C)=O |
| SPLASH | splash10-0aor-9731000000-da3f31172819ef5050ef |
| Source of Spectrum | AD-0-805-0 |
| Synonyms | Ergosta-14,22-dien-3-ol, acetate, (3.alpha.,5.beta.,22E)- 22-Ergosten-3-ol, acetate, (3.beta.,5.alpha.,22E)- 3.beta.-Acetoxy-5.alpha.-ergost-22-ene Acetic acid [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-yl] ester [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-yl] acetate [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-yl] acetate [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-yl] ethanoate |
| Wiley ID | 60228 |