Tixocortol pivalate

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Systematic / IUPAC Name: S-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanethioate

ID: Reference2108

Other Names: Tixocortol 21-pivalate;
Pivalone;
(11β)-11,17-Dihydroxy-21-((2,2-dimethyl-1-oxopropyl)thio)pregn-4-ene-3,20-dione;
11β,17-Dihydroxy-21-mercaptopregn-4-ene-3,20-dione 21-pivalate;
S-(11β,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl) 2,2-dimethylpropanethioate

Formula: C26H38O5S

Class: Therapeutics/Prescription Drugs

Spectral Data

Tixocortol 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 1/27/2015 9:54:08 AM
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Identificators

InChI InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1
InChI Key BISFDZNIUZIKJD-XDANTLIUSA-N
Canonical SMILES CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CSC(=O)C(C)(C)C)O)C)O
CAS 55560968
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Other Names Tixocortol 21-pivalate;
Pivalone;
(11β)-11,17-Dihydroxy-21-((2,2-dimethyl-1-oxopropyl)thio)pregn-4-ene-3,20-dione;
11β,17-Dihydroxy-21-mercaptopregn-4-ene-3,20-dione 21-pivalate;
S-(11β,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl) 2,2-dimethylpropanethioate

In Other Databases

Wikipedia Tixocortol pivalate
PubChem 15052414
ChemSpider 16499327
KEGG D06171
ChEBI CHEBI:63564
ChEMBL CHEMBL2107112