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4-Hydroxy-9,10-(methylenedioxy)-[3a-(3a.alpha.,11b.beta.)]-2,3,3a,4,5,7,11b,11c-octahydro-1H-pyrrolo[3,2,1-d,e]phenanthridin-5-one

View entire compound with spectra: 1 MS (GC)

4-Hydroxy-9,10-(methylenedioxy)-[3a-(3a.alpha.,11b.beta.)]-2,3,3a,4,5,7,11b,11c-octahydro-1H-pyrrolo[3,2,1-d,e]phenanthridin-5-one
SpectraBase Compound ID 4emBviLo4h1
InChI InChI=1S/C16H17NO4/c18-15-10-3-1-2-9-11-5-13-12(20-7-21-13)4-8(11)6-17(14(9)10)16(15)19/h4-5,9-10,14-15,18H,1-3,6-7H2/t9-,10+,14?,15+/m0/s1
InChIKey BNBDWFPCKGTRDV-GSJCZHLASA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uoT65K8wVF
Name 4-Hydroxy-9,10-(methylenedioxy)-[3a-(3a.alpha.,11b.beta.)]-2,3,3a,4,5,7,11b,11c-octahydro-1H-pyrrolo[3,2,1-d,e]phenanthridin-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c18-15-10-3-1-2-9-11-5-13-12(20-7-21-13)4-8(11)6-17(14(9)10)16(15)19/h4-5,9-10,14-15,18H,1-3,6-7H2/t9-,10+,14?,15+/m0/s1
InChIKey BNBDWFPCKGTRDV-GSJCZHLASA-N
Molecular Weight 287.315 g/mol
SMILES O[C@]1(C(N2C3[C@]1(CCC[C@@]3([H])c1c(C2)cc2c(OCO2)c1)[H])=O)[H]
SPLASH splash10-004i-0090000000-734db8987d354508be77
Source of Spectrum F-52-10577-11
Synonyms (3aR,12bS)-4-hydroxy-2,3,3a,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-5(4H)-one 4.beta.-Hydroxy-9,10-(methylenedioxy)-[3a-(3a.alpha.,11b.beta.)]-2,3,3a,4,5,7,11b,11c-octahydro-1H-pyrrolo[3,2,1-d,e]phenanthridin-5-one
Wiley ID 797915