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CHEBI:175507 - 4,5-Dihydro-drospirenone-3-sulfate

ChEBI IDCHEBI:175507
ChEBI Name4,5-Dihydro-drospirenone-3-sulfate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O5S
Net Charge0
Average Mass434.598
Monoisotopic Mass434.21270
SMILES[H][C@]12CC1C1C3C(CC[C@]1(C)C21CCC(=O)O1)[C@@]1(C)CCC(S(=O)(=O)O)CC1[C@]1([H])C[C@]31[H]
InChIInChI=1S/C24H34O5S/c1-22-6-3-12(30(26,27)28)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(25)29-24/h12-18,20-21H,3-11H2,1-2H3,(H,26,27,28)/t12?,13-,14+,15?,16?,17?,18+,20?,21?,22-,23+,24?/m1/s1
InChIKeyZHIWICDXDMTIEM-LWZJYIEHSA-N
ChEBI Ontology
Outgoing Relation(s)
4,5-Dihydro-drospirenone-3-sulfate (CHEBI:175507) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(2S,4R,10S,14S,16S,18S)-10,14-dimethyl-5'-oxospiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,2'-oxolane]-7-sulonic acid
Manual XrefsDatabases
HMDB0061126HMDB
74886831ChemSpider