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2-[3-[2-[benzyl-[(1S,5R,6S)-6-formyl-5-methyl-cyclohex-2-en-1-yl]amino]ethyl]-1H-indol-2-yl]acetic acid methyl ester
SpectraBase Compound ID GhKtkemkGWw
InChI InChI=1S/C28H32N2O3/c1-20-9-8-14-27(24(20)19-31)30(18-21-10-4-3-5-11-21)16-15-23-22-12-6-7-13-25(22)29-26(23)17-28(32)33-2/h3-8,10-14,19-20,24,27,29H,9,15-18H2,1-2H3/t20-,24+,27+/m1/s1
InChIKey COPMILBJICBDOE-MHLNXUHPSA-N
Mol Weight 444.6 g/mol
Molecular Formula C28H32N2O3
Exact Mass 444.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IJxrfk6FPf
Name 2-[3-[2-[benzyl-[(1S,5R,6S)-6-formyl-5-methyl-cyclohex-2-en-1-yl]amino]ethyl]-1H-indol-2-yl]acetic acid methyl ester
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Formula C28H32N2O3
InChI InChI=1S/C28H32N2O3/c1-20-9-8-14-27(24(20)19-31)30(18-21-10-4-3-5-11-21)16-15-23-22-12-6-7-13-25(22)29-26(23)17-28(32)33-2/h3-8,10-14,19-20,24,27,29H,9,15-18H2,1-2H3/t20-,24+,27+/m1/s1
InChIKey COPMILBJICBDOE-MHLNXUHPSA-N
Molecular Weight 444.575 g/mol
SMILES [nH]1c2ccccc2c(c1CC(=O)OC)CCN([C@@]1([C@@](C=O)([C@](C)(CC=C1)[H])[H])[H])Cc1ccccc1
SPLASH splash10-0006-8960000000-26e74e1700ab976873a1
Source of Spectrum J-62-7953-4
Synonyms 2-[3-[2-[[(1S,5R,6S)-6-formyl-5-methyl-1-cyclohex-2-enyl]-(phenylmethyl)amino]ethyl]-1H-indol-2-yl]acetic acid methyl ester Methyl 2-[3-[2-[benzyl-[(1S,5R,6S)-6-formyl-5-methyl-cyclohex-2-en-1-yl]amino]ethyl]-1H-indol-2-yl]acetate Methyl 2-[3-[2-[[(1S,5R,6S)-6-methanoyl-5-methyl-cyclohex-2-en-1-yl]-(phenylmethyl)amino]ethyl]-1H-indol-2-yl]ethanoate
Wiley ID 1386128