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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H41ClO7
Molecular Weight 549.095
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-Chloro-11β-hydroxy-2′,2′-dimethyl-3,20-dioxo-(16βH)-[1,3]dioxolo[4′,5′:16,17]pregna-1,4-dien-21-yl 3,3-dimethylbutanoate

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@]3(C)[C@@]1(OC(C)(C)O2)C(=O)COC(=O)CC(C)(C)C

InChI

InChIKey=GQWUDLDDLMBIBN-FLRHRWPCSA-N
InChI=1S/C30H41ClO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H41ClO7
Molecular Weight 549.095
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
3KRX2V3ZGQ
Record Status Validated (UNII)
Record Version