5α-Pregnan-3,20-dione

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Systematic / IUPAC Name: 17-Acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,
17-tetradecahydrocyclopenta[a]phenanthren-3-one

ID: Reference247

Other Names: 3,20-Allopregnanedione;
5α-Pregnane-3,20-dione;
5α-Dihydroprogesterone;
3,20-Dioxo-5α-pregnane;
Allopregnan-3,20-dione ; more

Formula: C21H32O2

Class: Endogenous Metabolites

Spectral Data

5α-Pregnan-3,20-dione 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 195
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 11/28/2014 9:45:15 AM
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Identificators

InChI InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1
InChI Key XMRPGKVKISIQBV-BJMCWZGWSA-N
Canonical SMILES O=C(C)C2C1(CCC4C(C1CC2)CCC3CC(=O)CCC34C)C
CAS 566654
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Other Names 3,20-Allopregnanedione;
5α-Pregnane-3,20-dione;
5α-Dihydroprogesterone;
3,20-Dioxo-5α-pregnane;
Allopregnan-3,20-dione;
Allopregnane-3,20-dione;
Pregnane-3,20-dione, (5α)-;
Pregnane-3,20-dione;
5a-Pregnan-3,20-dione

In Other Databases

Wikipedia 5a-Dihydroprogesterone
PubChem 92810
ChEMBL CHEMBL407717
ChemSpider 83782
ChEBI CHEBI:28952
ChemIDPlus 000566654
HMDb HMDB03759
KEGG C03681