| SpectraBase Compound ID | HNL6gFKD7DZ |
|---|---|
| InChI | InChI=1S/C31H49F3O2/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/h11,19-23,25-27H,7-10,12-18H2,1-6H3 |
| InChIKey | ASFNVDOBCIPWSZ-UHFFFAOYSA-N |
| Mol Weight | 510.7 g/mol |
| Molecular Formula | C31H49F3O2 |
| Exact Mass | 510.368465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AA5BmqbvUEO |
|---|---|
| Name | Stigmast-7-en-3-ol, trifluoroacetate, (3.beta.,24.xi.)- |
| CAS Registry Number | 55517-92-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H49F3O2 |
| InChI | InChI=1S/C31H49F3O2/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/h11,19-23,25-27H,7-10,12-18H2,1-6H3 |
| InChIKey | ASFNVDOBCIPWSZ-UHFFFAOYSA-N |
| Molecular Weight | 510.726 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(CCC(C(C)C)CC)C)CC4)=CCC2CC(CC1)OC(C(F)(F)F)=O |
| SPLASH | splash10-08i1-0069140000-33cc725e478743995eea |
| Source of Spectrum | T-67-4984-0 |
| Synonyms | Stigmast-7-en-3-yl trifluoroacetate 2,2,2-trifluoroacetic acid [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate [17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate [17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-tris(fluoranyl)ethanoate |
| Wiley ID | 1400577 |