| SpectraBase Compound ID | HJ1aVegKRev |
|---|---|
| InChI | InChI=1S/C31H47F3O2/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(36-28(35)31(32,33)34)14-16-29(22,5)27(24)15-17-30(25,26)6/h8-10,19-21,23-27H,7,11-18H2,1-6H3/b9-8+ |
| InChIKey | ZHIIPKOZPFJKNF-CMDGGOBGSA-N |
| Mol Weight | 508.7 g/mol |
| Molecular Formula | C31H47F3O2 |
| Exact Mass | 508.352815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | APr6yIkTRQk |
|---|---|
| Name | Stigmasta-5,22-dien-3-ol, trifluoroacetate, (3.beta.,22E)- |
| CAS Registry Number | 3870-50-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H47F3O2 |
| InChI | InChI=1S/C31H47F3O2/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(36-28(35)31(32,33)34)14-16-29(22,5)27(24)15-17-30(25,26)6/h8-10,19-21,23-27H,7,11-18H2,1-6H3/b9-8+ |
| InChIKey | ZHIIPKOZPFJKNF-CMDGGOBGSA-N |
| Molecular Weight | 508.710 g/mol |
| SMILES | CCC(\C=C\C(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(F)(F)F)C(C)C |
| SPLASH | splash10-0532-9712000000-20fe0c897ca03a453901 |
| Source of Spectrum | W5-36817-28719-28719 |
| Synonyms | (22E)-Stigmasta-5,22-dien-3-yl trifluoroacetate Stigmasta-5,22-dien-3.beta.-ol, trifluoroacetate Stigmasterol O-trifluoroacetate Stigmasterol trifluoroacetate 2,2,2-trifluoroacetic acid [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate [17-[(E)-4-ethyl-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate [17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-tris(fluoranyl)ethanoate |
| Wiley ID | 1400223 |