Drospirenone

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Systematic / IUPAC Name: (1aR,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dR)-5a,7a-Dimethyl-1,1a,5,5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-tetradecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[L]phenanthrene-8,2'-furan]-3,5'(4H,4'H)-dione

ID: Reference2063

Other Names: Dihydrospirorenone;
Dehydrospirorenone;
1,2-Dihydrospirorenone;
DRSP;
6β,7β,15β,16β-Dimethylen-3-oxo-17α-pregn-4-en-21,17-carbolacton ; more

Formula: C24H30O3

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Drospirenone 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 1/21/2015 4:06:17 PM
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Identificators

InChI InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1
InChI Key METQSPRSQINEEU-HXCATZOESA-N
Canonical SMILES CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C
CAS 67392874
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Other Names Dihydrospirorenone;
Dehydrospirorenone;
1,2-Dihydrospirorenone;
DRSP;
6β,7β,15β,16β-Dimethylen-3-oxo-17α-pregn-4-en-21,17-carbolacton;
6β,7β;15β,16β-Dimethylene-3-oxo-17α-pregn-4-ene-21,17-carbolactone;
17-Hydroxy-6β,7β:15β,16β-dimethylene-3-oxo-17α-pregn-4-ene-21-carboxylic acid, Υ-lactone

In Other Databases

ChemIDPlus 067392874
ChemSpider 62105
Wikipedia Drospirenone
PubChem 68873
KEGG D03917
ChEBI CHEBI:50838
HMDb HMDB15467
DrugBank DB01395
ChEMBL CHEMBL1509