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(S)-7-Hydroxy-4-hydroxymethyl-7-isopropyl-1,4,5,7-tetrahydro-3H-azocino[4,5,6-cd]indol-6-one
SpectraBase Compound ID 4rejKwp34ba
InChI InChI=1S/C16H20N2O3/c1-9(2)16(21)12-4-3-5-13-14(12)10(7-17-13)6-11(8-19)18-15(16)20/h3-5,7,9,11,17,19,21H,6,8H2,1-2H3,(H,18,20)/t11-,16?/m0/s1
InChIKey PFRCUWMBHYEVGX-CHPOKUKFSA-N
Mol Weight 288.35 g/mol
Molecular Formula C16H20N2O3
Exact Mass 288.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvmyYTsQug7
Name (S)-7-Hydroxy-4-hydroxymethyl-7-isopropyl-1,4,5,7-tetrahydro-3H-azocino[4,5,6-cd]indol-6-one
Alternate Name(s) (4S)-7-hydroxy-4-(hydroxymethyl)-7-isopropyl-1,4,5,7-tetrahydroazocino[4,5,6-cd]indol-6(3H)-one (7R)-1,3,4,5,6,7-Hexahydro-7-hydroxy-4-(hydroxymethyl-7-isopropyl-6-oxopyrrolo[4,3,2-fg][3]benzazocine
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Formula C16H20N2O3
InChI InChI=1S/C16H20N2O3/c1-9(2)16(21)12-4-3-5-13-14(12)10(7-17-13)6-11(8-19)18-15(16)20/h3-5,7,9,11,17,19,21H,6,8H2,1-2H3,(H,18,20)/t11-,16?/m0/s1
InChIKey PFRCUWMBHYEVGX-CHPOKUKFSA-N
Molecular Weight 288.347 g/mol
SMILES [nH]1cc2c3c(C(C(N[C@@](C2)(CO)[H])=O)(C(C)C)O)cccc13
SPLASH splash10-0a4i-1890000000-f52b7b4ef7029c5fa7dc
Source of Spectrum KC-1992-828-18
Wiley ID 776205