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1-(3,4,5-trihydroxy-1-oxo-pentyl)-9-benzyl-.beta.-carboline
SpectraBase Compound ID IlNvbaQ7wJ5
InChI InChI=1S/C23H22N2O4/c26-14-21(29)19(27)12-20(28)22-23-17(10-11-24-22)16-8-4-5-9-18(16)25(23)13-15-6-2-1-3-7-15/h1-11,19,21,26-27,29H,12-14H2
InChIKey UWYRXFCDGDTXNW-UHFFFAOYSA-N
Mol Weight 390.44 g/mol
Molecular Formula C23H22N2O4
Exact Mass 390.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B84n60YN4pP
Name 1-(3,4,5-trihydroxy-1-oxo-pentyl)-9-benzyl-.beta.-carboline
Alternate Name(s) 1-(9-benzyl-9H-pyrido[3,4-b]indol-1-yl)-3,4,5-trihydroxypentan-1-one 3,4,5-trihydroxy-1-[9-(phenylmethyl)-1-pyrido[3,4-b]indolyl]-1-pentanone 1-(9-benzylpyrido[3,4-b]indol-1-yl)-3,4,5-trihydroxypentan-1-one 1-(9-benzylpyrido[3,4-b]indol-1-yl)-3,4,5-trihydroxy-pentan-1-one 3,4,5-tris(oxidanyl)-1-[9-(phenylmethyl)pyrido[3,4-b]indol-1-yl]pentan-1-one
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Formula C23H22N2O4
InChI InChI=1S/C23H22N2O4/c26-14-21(29)19(27)12-20(28)22-23-17(10-11-24-22)16-8-4-5-9-18(16)25(23)13-15-6-2-1-3-7-15/h1-11,19,21,26-27,29H,12-14H2
InChIKey UWYRXFCDGDTXNW-UHFFFAOYSA-N
Molecular Weight 390.439 g/mol
SMILES OC(CO)C(CC(c1c2[n](c3c(cccc3)c2ccn1)Cc1ccccc1)=O)O
SPLASH splash10-0006-9021000000-57e62997b8df73adeb17
Source of Spectrum EMC-32-1017-16c
Wiley ID 1734361