Tetrahydrogestrinone

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Systematic / IUPAC Name: (8S,13S,14S,17S)-13,17-Diethyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

ID: Reference7226

Other Names: (17a)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,9,11-trien-3-one;
(8S,13S,14S,17S)-13,17-Diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;
17-Hydroxy-18A-homo-19-nor-17α-pregna-4,9,11-trien-3-one

Formula: C21H28O2

Class: Sports Doping Drugs

Spectral Data

Tetrahydrogestrinone 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/8/2018 2:51:14 PM
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Identificators

InChI InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1
InChI Key OXHNQTSIKGHVBH-ANULTFPQSA-N
Canonical SMILES CCC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)CC)O
CAS
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Other Names (17a)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,9,11-trien-3-one;
(8S,13S,14S,17S)-13,17-Diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;
17-Hydroxy-18A-homo-19-nor-17α-pregna-4,9,11-trien-3-one

In Other Databases

Wikipedia Tetrahydrogestrinone
ChemSpider 5257020
DrugBank DB06870
HMDb HMDB04626
PubChem 6857686