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(4aS,8aR)-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-2,8a-dicarboxylic acid O2-tert-butyl ester O8a-methyl ester
SpectraBase Compound ID ALqsT8b0Zw0
InChI InChI=1S/C16H27NO5/c1-15(2,3)22-14(20)17-8-6-11-9-12(18)5-7-16(11,10-17)13(19)21-4/h11-12,18H,5-10H2,1-4H3/t11-,12?,16-/m0/s1
InChIKey PYDDVUIVTPZJMP-ASIDQLCPSA-N
Mol Weight 313.39 g/mol
Molecular Formula C16H27NO5
Exact Mass 313.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69IPbbeXAao
Name (4aS,8aR)-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-2,8a-dicarboxylic acid O2-tert-butyl ester O8a-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H27NO5
InChI InChI=1S/C16H27NO5/c1-15(2,3)22-14(20)17-8-6-11-9-12(18)5-7-16(11,10-17)13(19)21-4/h11-12,18H,5-10H2,1-4H3/t11-,12?,16-/m0/s1
InChIKey PYDDVUIVTPZJMP-ASIDQLCPSA-N
Molecular Weight 313.394 g/mol
SMILES OC1CC[C@@]2(CN(C(OC(C)(C)C)=O)CC[C@]2(C1)[H])C(=O)OC
SPLASH splash10-0a4i-6791000000-6c72878dd102075292f2
Source of Spectrum K1-2004-2704-5
Synonyms 2-O-tert-butyl 8a-O-methyl (4aS,8aR)-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-2,8a-dicarboxylate O2-tert-butyl O8a-methyl (4aS,8aR)-6-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-2,8a-dicarboxylate O2-tert-butyl O8a-methyl (4aS,8aR)-6-oxidanyl-1,3,4,4a,5,6,7,8-octahydroisoquinoline-2,8a-dicarboxylate
Wiley ID 1561039