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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H33FO6
Molecular Weight 500.5833
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETAMETHASONE 17-BENZOATE H-3

SMILES

[H][C@@]12C[C@H](C)[C@](OC(=O)C3=CC=CC=C3)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]4(F)[C@@]2([H])CCC5=CC(=O)C([3H])=C([3H])[C@]45C

InChI

InChIKey=SOQJPQZCPBDOMF-NVZJQJFOSA-N
InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1/i11T,12T

HIDE SMILES / InChI

Molecular Formula C29H33FO6
Molecular Weight 500.5833
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
W1K61QP9O0
Record Status Validated (UNII)
Record Version