Diflucortolone pivalate

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Systematic / IUPAC Name: [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-Difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate

ID: Reference2032

Other Names: 6α,9-Difluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-pivalate

Formula: C27H36F2O5

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Steroids/Vitamins/Hormones

Spectral Data

Diflucortolone pivalate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/16/2015 1:28:35 PM
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Identificators

InChI InChI=1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1
InChI Key UWGRWFCLGQWKPR-GSTUPEFVSA-N
Canonical SMILES CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)COC(=O)C(C)(C)C)C)O)F)C)F
CAS 15845962
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Other Names 6α,9-Difluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-pivalate

In Other Databases

ChEMBL CHEMBL2106277
PubChem 66381
ChemIDPlus 015845962
KEGG D03813
ChemSpider 59756