| SpectraBase Compound ID | 8JU4KPJNYsf |
|---|---|
| InChI | InChI=1S/C30H46O2/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/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+ |
| InChIKey | NGEVNHYPVVOXPB-CMDGGOBGSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C30H46O2 |
| Exact Mass | 438.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cwe6wOD5PF6 |
|---|---|
| Name | (22E)-Ergosta-5,7,22-trien-3-yl acetate |
| Alternate Name(s) | Acetic acid, 10,13-dimethyl-17-(1,4,5-trimethyl-hex-2-enyl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl ester Ergosta-5,7,22-trien-3-ol, acetate, (3.beta.,22E)- Ergosta-5,7,22-trien-3-ol, acetate Ergosta-5,7,22-trien-3-yl acetate Ergosta-5,7,22-trien-3.beta.-ol, acetate Ergosta-5,8(9),22-trien-3.beta.-yl acetate Ergosterin acetate Ergosterol, acetate Ergosteryl 3.beta.-acetate Ergosteryl acetate Acetic acid [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-[(E)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate EINECS 219-335-0 |
| CAS Registry Number | 2418-45-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O2 |
| InChI | InChI=1S/C30H46O2/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/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+ |
| InChIKey | NGEVNHYPVVOXPB-CMDGGOBGSA-N |
| Molecular Weight | 438.696 g/mol |
| SMILES | C1(OC(C)=O)CCC2(C(C1)=CC=C1C2CCC2(C1CCC2C(\C=C\C(C)C(C)C)C)C)C |
| SPLASH | splash10-03fr-0029000000-cbc00a6f22fcc611bf8a |
| Source of Spectrum | KC-1981-2126-0 |
| Wiley ID | 1384311 |