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(3R,3.beta.)-1-(1S,2S)-[[1-[(Benzoyloxy)methyl]cyclohex-4-en-2-yl]methyl]-2-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SpectraBase Compound ID CUQxwvaK5Ud
InChI InChI=1S/C28H30N2O4/c1-33-28(32)30-16-15-23-22-13-7-8-14-24(22)29-26(23)25(30)17-20-11-5-6-12-21(20)18-34-27(31)19-9-3-2-4-10-19/h2-10,13-14,20-21,25,29H,11-12,15-18H2,1H3/t20-,21-,25?/m1/s1
InChIKey FFRRDXMKVQUFEG-NFQZSHQESA-N
Mol Weight 458.56 g/mol
Molecular Formula C28H30N2O4
Exact Mass 458.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7crssJuq3eY
Name (3R,3.beta.)-1-(1S,2S)-[[1-[(Benzoyloxy)methyl]cyclohex-4-en-2-yl]methyl]-2-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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Formula C28H30N2O4
InChI InChI=1S/C28H30N2O4/c1-33-28(32)30-16-15-23-22-13-7-8-14-24(22)29-26(23)25(30)17-20-11-5-6-12-21(20)18-34-27(31)19-9-3-2-4-10-19/h2-10,13-14,20-21,25,29H,11-12,15-18H2,1H3/t20-,21-,25?/m1/s1
InChIKey FFRRDXMKVQUFEG-NFQZSHQESA-N
Molecular Weight 458.558 g/mol
SMILES [nH]1c2ccccc2c2CCN(C(c12)C[C@@]1([C@@](COC(=O)c2ccccc2)(CC=CC1)[H])[H])C(=O)OC
SPLASH splash10-0059-0090200000-e24389a631dbb6adb018
Source of Spectrum J-60-2511-14
Synonyms (3R,3.alpha.)-1-(1S,2S)-[[1-[(Benzoyloxy)methyl]cyclohex-4-ene-2-yl]methyl]-2-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (3R,3.beta.)-1-(1R,2S)-[[1-[(Benzoyloxy)methyl]cyclohex-4-en-2-yl]methyl]-2-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Methyl 1-({(1S,6S)-6-[(benzoyloxy)methyl]-3-cyclohexen-1-yl}methyl)-1,3,4,9-tetrahydro-2H-.beta.-carboline-2-carboxylate
Wiley ID 1389957