Betamethasone 17-valerate

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Systematic / IUPAC Name: (11β,16β)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate

ID: Reference1920

Other Names: β-Val (TN);
Betaderm;
Betnovate;
Betnovateat;
Celestoderm ; more

Formula: C27H37FO6

Class: Therapeutics/Prescription Drugs

Spectral Data

Betamethasone 17-valerate 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 10/22/2015 11:16:05 AM
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Identificators

InChI InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1
InChI Key SNHRLVCMMWUAJD-SUYDQAKGSA-N
Canonical SMILES CCCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CO
CAS 2152445
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Other Names β-Val (TN);
Betaderm;
Betnovate;
Betnovateat;
Celestoderm;
Ecoval 70;
Gentocin (veterinary);
Luxiq (TN);
Otomax (veterinary);
Rinderon-V (TN);
Topagen (veterinary);
Valnac;
β-Methasone 17-valerate;
(11β,16β)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate;
(2S,10S,11S,13S,15S,17S,1R,14R)-1-Fluoro-17-hydroxy-14-(2-hydroxyacetyl)-2,13, 15-trimethyl-5-oxotetracyclo[8.7.0.0.0]heptadeca-3,6-dien-14-yl pe ntanoate;
[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate;
9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-valerate;
9-Fluoro-11β,21-dihydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate;
9-Fluoro-11β,21-dihydroxy-16β-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate;
Betamethasone valerate;
Betamethasone-17-valerate;
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-((1-oxopentyl)oxy)-, (11β,16β)-

In Other Databases

Wikipedia Betamethasone 17-valerate
PubChem 16533
ChemSpider 15673
ChemIDPlus 002152445
KEGG D01357
ChEBI CHEBI:31277