6-Acetylpicropolin

Also Known As: 6-Acetylpicropolin|Acetylpicropolin|[(2S,3R)-3,5-dimethyl-3-vinyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone|(1'R,3''S,4'aS,5''S,6'S,8'R,8'aR)-8'a-[(Acetyloxy)methyl]-5''-(furan-3-yl)-6'-methyl-2'',7'-dioxooctahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'-yl acetate|(3S,5S,5 R)-4 alpha-Acetoxy-4 aalpha-(acetoxymethyl)-5-(3-furanyl)-4,4 ,4 a,5,6 ,7 ,8 ,8 abeta-octahydro-2 alpha-methyldispiro[furan-3(2H),1 (5 H)-naphthalene-5 ,2 -oxirane]-2,3 (2 H)-dione|(5alpha,8alpha,9S,10beta,12S)-6alpha,18-Di(acetyloxy)-4alpha,19:15,16-diepoxy-12-hydroxy-7-oxocleroda-13(16),14-dien-20-oic acid 20,12-lactone|[(2R,4'aS,5'S,5''S,6'S,8'R,8'aR)-8'-(acetyloxy)-5''-(furan-3-yl)-6'-methyl-2'',7'-dioxo-octahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolan]-8'a-yl]methyl acetate

Molecular Formula	C24H28O9
Molecular Weight	460.17334 g/mol
LogP	1.5
Topological Polar Surface Area	122.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	460.17334
Monoisotopic Mass	460.17334
Heavy Atoms	33
Complexity	885.0

Chemical Identifiers

CAS Number	116187-56-5
SMILES	C[C@@H]1C(=O)[C@@H]([C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC[C@]25CO5)COC(=O)C)OC(=O)C
InChIKey	OATKJIMDMRXKBR-ATQQKGJMSA-N