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(2S,3aR,6R,7S,7aS)-6-Hydroxy-7-pent-4-enyl-2,3,3a,6,7,7a-hexahydroindole-1,2-dicarboxylic acid 1-Benzyl ester 2-Methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3aR,6R,7S,7aS)-6-Hydroxy-7-pent-4-enyl-2,3,3a,6,7,7a-hexahydroindole-1,2-dicarboxylic acid 1-Benzyl ester 2-Methyl ester
SpectraBase Compound ID AqE6fN2l2z5
InChI InChI=1S/C23H29NO5/c1-3-4-6-11-18-20(25)13-12-17-14-19(22(26)28-2)24(21(17)18)23(27)29-15-16-9-7-5-8-10-16/h3,5,7-10,12-13,17-21,25H,1,4,6,11,14-15H2,2H3/t17-,18+,19-,20+,21-/m0/s1
InChIKey BTXZROMKRILTTR-LUYSREMJSA-N
Mol Weight 399.49 g/mol
Molecular Formula C23H29NO5
Exact Mass 399.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaOJv0u9IZb
Name (2S,3aR,6R,7S,7aS)-6-Hydroxy-7-pent-4-enyl-2,3,3a,6,7,7a-hexahydroindole-1,2-dicarboxylic acid 1-Benzyl ester 2-Methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO5
InChI InChI=1S/C23H29NO5/c1-3-4-6-11-18-20(25)13-12-17-14-19(22(26)28-2)24(21(17)18)23(27)29-15-16-9-7-5-8-10-16/h3,5,7-10,12-13,17-21,25H,1,4,6,11,14-15H2,2H3/t17-,18+,19-,20+,21-/m0/s1
InChIKey BTXZROMKRILTTR-LUYSREMJSA-N
Molecular Weight 399.487 g/mol
SMILES O[C@@]1(C=C[C@]2(C[C@](N([C@@]2([C@@]1(CCCC=C)[H])[H])C(=O)OCc1ccccc1)(C(=O)OC)[H])[H])[H]
SPLASH splash10-0006-9172000000-f0100978e7d196db2093
Source of Spectrum C-117-11110-29
Synonyms 1-Benzyl 2-methyl (2S,3aR,6R,7S,7aS)-6-hydroxy-7-(4-pentenyl)-2,3,3a,6,7,7a-hexahydro-1H-indole-1,2-dicarboxylate
Wiley ID 759367