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(17β)-2-Acetyl-17-benzoyloxy-4-oxaandrost-5-en-3-one-[13C2]

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(17β)-2-Acetyl-17-benzoyloxy-4-oxaandrost-5-en-3-one-[13C2]

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General Information
Catalog: BLP-006476
CAS: 82938-00-9
Molecular Formula: C25[13C]2H32O5
Molecular Weight: 438.52

Chemical Structure

Synonyms	(17β)-2-(Acetyl-13C2)-17-(benzoyloxy)-4-oxaandrost-5-en-3-one; (4aR,4bS,6aS,7S,9aS,9bS)-3-(Acetyl-13C2)-7-(benzoyloxy)-4,4a,4b,5,6,6a,7,8,9,9a,9b,10-dodecahydro-4a,6a-dimethyl-cyclopenta[5,6]naphtho[2,1-b]pyran-2(3H)-one
IUPAC Name	[(1S,3aS,3bS,9aR,9bS,11aS)-8-acetyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]chromen-1-yl] benzoate-13C2
Related CAS	1795791-04-6 (unlabelled diastereomer)
Canonical SMILES	CC(=O)C1CC2(C3CCC4(C(C3CC=C2OC1=O)CCC4OC(=O)C5=CC=CC=C5)C)C
InChI	InChI=1S/C27H32O5/c1-16(28)19-15-27(3)21-13-14-26(2)20(18(21)9-11-23(27)32-25(19)30)10-12-22(26)31-24(29)17-7-5-4-6-8-17/h4-8,11,18-22H,9-10,12-15H2,1-3H3/t18-,19?,20-,21-,22-,26-,27+/m0/s1/i1+1,16+1
InChI Key	RNQBMXCMFMAZMY-NNFJFETISA-N
Purity	>98%
Appearance	White Solid
Storage	Store at 2-8°C