17-(1-Hydroxyethyl)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one

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Systematic / IUPAC Name: 20-Hydroxypregn-4-en-3-one

ID: Reference6782

Other Names: 20-α-Dihydroprogesterone

Formula: C21H32O2

Spectral Data

17-(1-Hydroxyethyl)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one 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 9/5/2017 8:35:50 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/h12-13,16-19,22H,4-11H2,1-3H3
InChI Key RWBRUCCWZPSBFC-UHFFFAOYSA-N
Canonical SMILES CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O
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Other Names 20-α-Dihydroprogesterone

In Other Databases

PubChem 249866
KEGG C04042
ChemSpider 218808; 21232701; 21233892; 21238760; 21239207