![BI[3BETA-ACETOXY-24,24,25,25,26,26-HEXAFLUORO-27-NORCHOLEST-5-EN-26-YL]](/api/spectrum/LoedvYw3INs/structure.png?h=300&w=458 "BI[3BETA-ACETOXY-24,24,25,25,26,26-HEXAFLUORO-27-NORCHOLEST-5-EN-26-YL]")
| SpectraBase Compound ID | 5wQbDvCP40p |
|---|---|
| InChI | InChI=1S/C56H78F12O4/c1-31(41-13-15-43-39-11-9-35-29-37(71-33(3)69)19-23-47(35,5)45(39)21-25-49(41,43)7)17-27-51(57,58)53(61,62)55(65,66)56(67,68)54(63,64)52(59,60)28-18-32(2)42-14-16-44-40-12-10-36-30-38(72-34(4)70)20-24-48(36,6)46(40)22-26-50(42,44)8/h9-10,31-32,37-46H,11-30H2,1-8H3/t31-,32-,37+,38+,39?,40?,41-,42-,43?,44?,45?,46?,47+,48+,49-,50-/m0/s1 |
| InChIKey | GTBABJKFVQLWHN-UQIIKSDNSA-N |
| Mol Weight | 1043.2 g/mol |
| Molecular Formula | C56H78F12O4 |
| Exact Mass | 1042.570849 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LoedvYw3INs |
|---|---|
| Name | BI[3BETA-ACETOXY-24,24,25,25,26,26-HEXAFLUORO-27-NORCHOLEST-5-EN-26-YL] |
| Comments | EXTERNAL STANDARD - CF3COOH (76.8 FROM CFCL3). SCALE INVERTED. NAME |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C56H78F12O4 |
| InChI | InChI=1S/C56H78F12O4/c1-31(41-13-15-43-39-11-9-35-29-37(71-33(3)69)19-23-47(35,5)45(39)21-25-49(41,43)7)17-27-51(57,58)53(61,62)55(65,66)56(67,68)54(63,64)52(59,60)28-18-32(2)42-14-16-44-40-12-10-36-30-38(72-34(4)70)20-24-48(36,6)46(40)22-26-50(42,44)8/h9-10,31-32,37-46H,11-30H2,1-8H3/t31-,32-,37+,38+,39?,40?,41-,42-,43?,44?,45?,46?,47+,48+,49-,50-/m0/s1 |
| InChIKey | GTBABJKFVQLWHN-UQIIKSDNSA-N |
| Instrument Name | Varian EM-360 |
| Literature Reference | WEI-YUAN HUANG, LI-QING HU, WEN-ZHE GE (1989) J.Fluor.Chem.: v.43, N3, 305-318. |
| NMR Standard | CCl3F |
| Observed nucleus | 19F |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |