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Reference substances

Reference substances

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General information

Inventory

EC number:
252-549-2
EC name:
11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate
CAS number:
35410-28-7

No inventory information available

Reference substance information

IUPAC name:
2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl methanesulfonate
Synonyms
Names:
Identifier:
IUPAC name
11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl methanesulfonate
11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl methanesulfonate

CAS information

CAS number:
35410-28-7

Molecular and structural information

Molecular formula:
C22H30O7S
Molecular weight:
438.534
SMILES notation:
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)C
InChl:
InChI=1/C22H30O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h6,8,10,15-17,19,24,26H,4-5,7,9,11-12H2,1-3H3
Structural formula:
Chemical structure