1.alpha.-Acetoxy-5-carbomethoxy-10a.alpha.-hydroxy-8-oxo-1,2,10a.alpha.,10b.alpha.-tetrahydro-4H-3a-azabenz[e]azulen-3,8-dione

SpectraBase Compound ID	sr43apiRa9
InChI	InChI=1S/C17H17NO7/c1-9(19)25-13-7-14(21)18-8-10(16(22)24-2)5-11-6-12(20)3-4-17(11,23)15(13)18/h3-6,13,15,23H,7-8H2,1-2H3/t13-,15-,17+/m0/s1
InChIKey	VHTRVBZOONBARJ-JLJPHGGASA-N Google Search
Mol Weight	347.32 g/mol
Molecular Formula	C17H17NO7
Exact Mass	347.100502 g/mol

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SpectraBase Spectrum ID	C3jbbskneve
Name	1.alpha.-Acetoxy-5-carbomethoxy-10a.alpha.-hydroxy-8-oxo-1,2,10a.alpha.,10b.alpha.-tetrahydro-4H-3a-azabenz[e]azulen-3,8-dione
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H17NO7
InChI	InChI=1S/C17H17NO7/c1-9(19)25-13-7-14(21)18-8-10(16(22)24-2)5-11-6-12(20)3-4-17(11,23)15(13)18/h3-6,13,15,23H,7-8H2,1-2H3/t13-,15-,17+/m0/s1
InChIKey	VHTRVBZOONBARJ-JLJPHGGASA-N
Molecular Weight	347.323 g/mol
SMILES	O[C@@]12[C@]3(N(C(C[C@@]3(OC(=O)C)[H])=O)CC(=CC1=CC(C=C2)=O)C(=O)OC)[H]
SPLASH	splash10-052b-0977000000-8fa0349c5cc324399fb9
Source of Spectrum	F-68-797-20
Synonyms	1-.alpha.-Acetoxy-5-carbomethoxy-10.alpha.-hydroxy-8-oxo-1,2,10a.alpha.,10b.alpha.-tetrahydro-4H-3a-azabenzo[e]azulen-3,8-dione (1S,11aR,11bS)-1-acetyloxy-11a-hydroxy-3,9-dioxo-1,2,5,11b-tetrahydropyrrolo[2,1-a][2]benzazepine-6-carboxylic acid methyl ester Methyl (1S,11aR,11bS)-1-acetyloxy-11a-hydroxy-3,9-dioxo-1,2,5,11b-tetrahydropyrrolo[2,1-a][2]benzazepine-6-carboxylate Methyl (1S,11aR,11bS)-1-acetoxy-11a-hydroxy-3,9-dioxo-1,2,5,11b-tetrahydropyrrolo[2,1-a][2]benzazepine-6-carboxylate Methyl (1S,11aR,11bS)-1-acetyloxy-11a-oxidanyl-3,9-bis(oxidanylidene)-1,2,5,11b-tetrahydropyrrolo[2,1-a][2]benzazepine-6-carboxylate
Wiley ID	1571700