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Reference substances

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IUPAC name:
11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate

Inventory

EC number:
206-120-1
EC name:
11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
CAS number:
302-25-0
CAS number:
302-25-0
Synonyms
Names:
11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione_21-(dihydrogen_phosphate)

Molecular and structural information

Molecular formula:
C21H29O8P
Molecular weight:
440.424
SMILES notation:
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COP(=O)(O)O
InChl:
InChI=1/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)
Structural formula:
Chemical structure

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