Ciclesonide

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Systematic / IUPAC Name: 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-Cyclohexyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl 2-methylpropanoate

ID: Reference1978

Other Names: Alvesco;
Pregna-1,4-diene-3,20-dione, 16,17-[[(R)-cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11β,16α)-;
Isobutyric acid 2-((4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-cyclohexyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester;
Propanoic acid, 2-methyl-, 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-cyclohexyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a-dimethyl-2-oxo-6bH-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl ester

Formula: C32H44O7

Class: Therapeutics/Prescription Drugs Natural Products/Medicines

Spectral Data

Ciclesonide 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 1/13/2015 1:18:12 PM
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Identificators

InChI InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29?,30-,31-,32+/m0/s1
InChI Key LUKZNWIVRBCLON-FOMURGDPSA-N
Canonical SMILES CC(C)C(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC(O2)C6CCCCC6
CAS 141845821
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Other Names Alvesco;
Pregna-1,4-diene-3,20-dione, 16,17-[[(R)-cyclohexylmethylene]bis(oxy)]-11-hydroxy-21-(2-methyl-1-oxopropoxy)-, (11β,16α)-;
Isobutyric acid 2-((4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-cyclohexyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester;
Propanoic acid, 2-methyl-, 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-cyclohexyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a-dimethyl-2-oxo-6bH-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl ester

In Other Databases

ChemSpider 392056
Wikipedia Ciclesonide
KEGG D01703
PubChem 444033