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6,9-Methano-9H-azecino[5,4-b]indole-3(2H)-carboxylic acid, 1,4,5,6,7,8-hexahydro-8-methoxy-, phenylmethyl ester, (6R*,8R*)-(.+-.)-
SpectraBase Compound ID DptWzLrr311
InChI InChI=1S/C25H28N2O3/c1-29-23-13-18-11-19(23)14-26-10-9-21-20-8-7-17(12-22(20)27-24(18)21)25(28)30-15-16-5-3-2-4-6-16/h2-6,9-10,14,17-19,23,27H,7-8,11-13,15H2,1H3/b10-9+,26-14-/t17?,18-,19+,23+/m1/s1
InChIKey UXXXTPIIHGWNSS-XZLGQSQMSA-N
Mol Weight 404.51 g/mol
Molecular Formula C25H28N2O3
Exact Mass 404.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45by5InrkF7
Name 6,9-Methano-9H-azecino[5,4-b]indole-3(2H)-carboxylic acid, 1,4,5,6,7,8-hexahydro-8-methoxy-, phenylmethyl ester, (6R*,8R*)-(.+-.)-
CAS Registry Number 80249-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O3
InChI InChI=1S/C25H28N2O3/c1-29-23-13-18-11-19(23)14-26-10-9-21-20-8-7-17(12-22(20)27-24(18)21)25(28)30-15-16-5-3-2-4-6-16/h2-6,9-10,14,17-19,23,27H,7-8,11-13,15H2,1H3/b10-9+,26-14-/t17?,18-,19+,23+/m1/s1
InChIKey UXXXTPIIHGWNSS-XZLGQSQMSA-N
Molecular Weight 404.510 g/mol
SMILES [nH]1c2CC(CCc2c2c1[C@@]1(C[C@@](\C=N/C=C/2)([C@](C1)(OC)[H])[H])[H])C(OCc1ccccc1)=O
SPLASH splash10-0f7o-6542900000-cb58d74dd5944e2a2070
Source of Spectrum F-37-1556-0
Synonyms 3-Benzyloxycarbonyl-6(R),9-methano-8(R)-methoxy-1,2,3,4,5,6,7,8-octahydro-9H-azecino[5,4-b]indole benzyl (16S)-16-methoxy-3,13-diazatetracyclo[13.2.1.0(2,10).0(4,9)]octadeca-2(10),4(9),11,13-tetraene-6-carboxylate
Wiley ID 1371475