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Reference substances

Reference substances

IUPAC name:
(3aS,9aS,9bS)-3-hydroxy-3a-methyl-6-(3-oxobutyl)-1,2,3,3a,4,5,8,9,9a,9b-decahydro-7H-cyclopenta[a]naphthalen-7-one

Inventory

CAS number:
4222-76-8
Synonyms
Names:
17.beta.-Hydroxy-19-nor-4,5-secoandrost-9-ene-3,5-dione
17.beta.-Hydroxy-4,5-seco-19-norandrost-9-ene-3,5-dione

Molecular and structural information

Molecular formula:
C18 H26 O3
Molecular weight:
ca. 290.41
SMILES notation:
C3C[C@H]2[C@@H]1CCC(C(=C1CC[C@@]2(C3O)C)CCC(C)=O)=O
InChl:
InChI=1/C18H26O3/c1-11(19)3-4-14-12-9-10-18(2)15(6-8-17(18)21)13(12)5-7-16(14)20/h13,15,17,21H,3-10H2,1-2H3/t13-,15+,17?,18+/m1/s1
Structural formula:
Chemical structure

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