Deoxycorticosterone 21-glucoside

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Systematic / IUPAC Name: 3,20-Dioxopregn-4-en-21-yl hexopyranoside

ID: Reference390

Other Names: 21-Hydroxyprogesterone 21-glucoside;
21-Hydroxy-4-pregnene-3,20-dione 21-glucoside;
Cortexone 21-glucoside;
4-Pregnen-21-ol-3,20-dione 21-glucoside;
4-Pregnen-21-ol-3,20-dione glucoside

Formula: C27H40O8

Class: Endogenous Metabolites

Spectral Data

Deoxycorticosterone 21-glucoside 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 2
No. of Spectra 682
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/13/2015 10:40:19 AM
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Identificators

InChI InChI=1S/C27H40O8/c1-26-9-7-15(29)11-14(26)3-4-16-17-5-6-19(27(17,2)10-8-18(16)26)20(30)13-34-25-24(33)23(32)22(31)21(12-28)35-25/h11,16-19,21-25,28,31-33H,3-10,12-13H2,1-2H3
InChI Key SMSMUZPFFJLROV-UHFFFAOYSA-N
Canonical SMILES O=C1\C=C4/C(C)(CC1)C5CCC3(C)C(CCC3C(=O)COC2OC(C(O)C(O)C2O)CO)C5CC4
CAS 4319566
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Other Names 21-Hydroxyprogesterone 21-glucoside;
21-Hydroxy-4-pregnene-3,20-dione 21-glucoside;
Cortexone 21-glucoside;
4-Pregnen-21-ol-3,20-dione 21-glucoside;
4-Pregnen-21-ol-3,20-dione glucoside

In Other Databases

ChemSpider 547350
PubChem 630295