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(3R,3.alpha.)-1-(1S*,2R*,4S,5R)-[1,2-Dihydro-4-[(benzoyloxy)methyl]cyclohex-5-yl]methyl]-2-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

View entire compound with spectra: 1 MS (GC)

(3R,3.alpha.)-1-(1S*,2R*,4S,5R)-[1,2-Dihydro-4-[(benzoyloxy)methyl]cyclohex-5-yl]methyl]-2-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SpectraBase Compound ID 9adOoZZ0CX9
InChI InChI=1S/C28H32N2O6/c1-35-28(34)30-12-11-21-20-9-5-6-10-22(20)29-26(21)23(30)13-18-14-24(31)25(32)15-19(18)16-36-27(33)17-7-3-2-4-8-17/h2-10,18-19,23-25,29,31-32H,11-16H2,1H3/t18-,19-,23+,24+,25-/m1/s1
InChIKey MZOVGCDAOPXZIV-MQJMNRKWSA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H32N2O6
Exact Mass 492.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72n9mrewMKZ
Name (3R,3.alpha.)-1-(1S*,2R*,4S,5R)-[1,2-Dihydro-4-[(benzoyloxy)methyl]cyclohex-5-yl]methyl]-2-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32N2O6
InChI InChI=1S/C28H32N2O6/c1-35-28(34)30-12-11-21-20-9-5-6-10-22(20)29-26(21)23(30)13-18-14-24(31)25(32)15-19(18)16-36-27(33)17-7-3-2-4-8-17/h2-10,18-19,23-25,29,31-32H,11-16H2,1H3/t18-,19-,23+,24+,25-/m1/s1
InChIKey MZOVGCDAOPXZIV-MQJMNRKWSA-N
Molecular Weight 492.572 g/mol
SMILES [nH]1c2ccccc2c2c1[C@](C[C@@]1(C[C@@]([C@@](C[C@@]1(COC(=O)c1ccccc1)[H])(O)[H])(O)[H])[H])(N(CC2)C(=O)OC)[H]
SPLASH splash10-004l-0030900000-bc4b17780e6bb93c4c96
Source of Spectrum J-60-2511-15
Synonyms Methyl (1S)-1-({(1R,2S,4R,5S)-2-[(benzoyloxy)methyl]-4,5-dihydroxycyclohexyl}methyl)-1,3,4,9-tetrahydro-2H-.beta.-carboline-2-carboxylate
Wiley ID 1397589