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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H35BrO4
Molecular Weight 479.447
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-Bromo-3-(2,2-dimethyl-1-oxopropoxy)-5,6-epoxydihydro-3?H-cycloprop[15,16]androst-15-en-17-one, (3?,5?,6?,7?,15?,16?)-

SMILES

CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3[C@H](Br)[C@H]6O[C@@]26C1

InChI

InChIKey=NJOBSSPFBRMYST-DNLFMSLGSA-N
InChI=1S/C25H35BrO4/c1-22(2,3)21(28)29-12-6-9-24(5)15-7-8-23(4)17(13-10-14(13)19(23)27)16(15)18(26)20-25(24,11-12)30-20/h12-18,20H,6-11H2,1-5H3/t12-,13+,14-,15-,16+,17-,18-,20+,23-,24+,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H35BrO4
Molecular Weight 479.447
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
TBV9ZC4YBW
Record Status Validated (UNII)
Record Version