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3H-Azecino[5,4-b]indole-3-carboxylic acid, 1,2,4,5,6,7,8,9-octahydro-8-methoxy-6-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester, (6R*,8S*)-(.+-.)-
SpectraBase Compound ID CqerViwntc3
InChI InChI=1S/C26H32N2O6S/c1-32-24-16-20(18-34-35(2,30)31)12-14-28(26(29)33-17-19-8-4-3-5-9-19)15-13-22-21-10-6-7-11-23(21)27-25(22)24/h3-11,20,24,27H,12-18H2,1-2H3/t20-,24+/m1/s1
InChIKey WLJQMMWRYMEYPN-YKSBVNFPSA-N
Mol Weight 500.6 g/mol
Molecular Formula C26H32N2O6S
Exact Mass 500.198108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NwBVodIFOX
Name 3H-Azecino[5,4-b]indole-3-carboxylic acid, 1,2,4,5,6,7,8,9-octahydro-8-methoxy-6-[[(methylsulfonyl)oxy]methyl]-, phenylmethyl ester, (6R*,8S*)-(.+-.)-
CAS Registry Number 80299-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32N2O6S
InChI InChI=1S/C26H32N2O6S/c1-32-24-16-20(18-34-35(2,30)31)12-14-28(26(29)33-17-19-8-4-3-5-9-19)15-13-22-21-10-6-7-11-23(21)27-25(22)24/h3-11,20,24,27H,12-18H2,1-2H3/t20-,24+/m1/s1
InChIKey WLJQMMWRYMEYPN-YKSBVNFPSA-N
Molecular Weight 500.610 g/mol
SMILES [nH]1c2ccccc2c2c1[C@](C[C@@](CCN(CC2)C(OCc1ccccc1)=O)(COS(=O)(=O)C)[H])(OC)[H]
SPLASH splash10-0006-9500010000-7123506634596ed28198
Source of Spectrum F-37-1556-0
Synonyms 3-Benzyloxycarbonyl-6(R)-methanesulphonyloxymethyl-8(S)-methoxy-1,2,3,4,5,6,7,8-octahydro-9H-azecino[5,4-b]indole benzyl (6R,8S)-8-methoxy-6-{[(methylsulfonyl)oxy]methyl}-1,2,4,5,6,7,8,9-octahydro-3H-azecino[5,4-b]indole-3-carboxylate
Wiley ID 1398852