| SpectraBase Compound ID | 4uZUEh2h3rK |
|---|---|
| InChI | InChI=1S/C29H28F14O5/c1-22-9-7-14(48-21(46)25(32,33)27(36,37)29(41,42)43)11-13(22)3-4-15-16-5-6-18(23(16,2)10-8-17(15)22)19(44)12-47-20(45)24(30,31)26(34,35)28(38,39)40/h3,11,15-18H,4-10,12H2,1-2H3 |
| InChIKey | LSDDPARCFYXVBU-UHFFFAOYSA-N |
| Mol Weight | 722.52 g/mol |
| Molecular Formula | C29H28F14O5 |
| Exact Mass | 722.171318 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3ZMnASDPkW |
|---|---|
| Name | Pregna-3,5-dien-20-one, 3,21-dihydroxy-, bis(heptafluorobutyrate) |
| Alternate Name(s) | 21-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)oxy]-20-oxopregna-3,5-dien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [2-[3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester [2-[3-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate [2-[3-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2,3,3,4,4,4-heptafluorobutanoate [2-[3-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoyloxy]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate |
| CAS Registry Number | 18072-34-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H28F14O5 |
| InChI | InChI=1S/C29H28F14O5/c1-22-9-7-14(48-21(46)25(32,33)27(36,37)29(41,42)43)11-13(22)3-4-15-16-5-6-18(23(16,2)10-8-17(15)22)19(44)12-47-20(45)24(30,31)26(34,35)28(38,39)40/h3,11,15-18H,4-10,12H2,1-2H3 |
| InChIKey | LSDDPARCFYXVBU-UHFFFAOYSA-N |
| Molecular Weight | 722.516 g/mol |
| SMILES | CC12C(C3C(CC2)C2(C)C(=CC3)C=C(CC2)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)CCC1C(COC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O |
| SPLASH | splash10-066r-5913100100-ed555c42a970df4483c5 |
| Source of Spectrum | AD-0-2748-0 |
| Wiley ID | 66442 |