For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Butenoic acid, 2-methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl)-, 2-methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl)-2-butenyl ester, [3aS-[3a.alpha.[E[E(3aR*,8aR*)]],8a.alpha.]]-
SpectraBase Compound ID LPXaWgfRdnv
InChI InChI=1S/C32H40N4O2/c1-22(13-15-31-17-19-35(3)29(31)33-26-11-7-5-9-24(26)31)21-38-28(37)23(2)14-16-32-18-20-36(4)30(32)34-27-12-8-6-10-25(27)32/h5-14,29-30,33-34H,15-21H2,1-4H3/b22-13+,23-14+/t29?,30-,31?,32-/m0/s1
InChIKey YOVOFAXXWGWGEI-YRPCBFLDSA-N
Mol Weight 512.7 g/mol
Molecular Formula C32H40N4O2
Exact Mass 512.315127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 91ktqDTTHe7
Name 2-Butenoic acid, 2-methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl)-, 2-methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo[2,3-b]indol-3a(1H)-yl)-2-butenyl ester, [3aS-[3a.alpha.[E[E(3aR*,8aR*)]],8a.alpha.]]-
CAS Registry Number 113056-56-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40N4O2
InChI InChI=1S/C32H40N4O2/c1-22(13-15-31-17-19-35(3)29(31)33-26-11-7-5-9-24(26)31)21-38-28(37)23(2)14-16-32-18-20-36(4)30(32)34-27-12-8-6-10-25(27)32/h5-14,29-30,33-34H,15-21H2,1-4H3/b22-13+,23-14+/t29?,30-,31?,32-/m0/s1
InChIKey YOVOFAXXWGWGEI-YRPCBFLDSA-N
Molecular Weight 512.698 g/mol
SMILES N1c2c([C@@]3(C\C=C\(C(OC\C(=C\CC45C(N(CC5)C)Nc5c4cccc5)C)=O)C)[C@@]1(N(C)CC3)[H])cccc2
SPLASH splash10-00du-0924120000-ac53f0c38bad3548012a
Source of Spectrum J-53-1226-2
Synonyms Pyrrolo[2,3-b]indole, 2-butenoic acid deriv. (2E)-2-methyl-4-(1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)-2-butenyl (2E)-4-((3aS,8aS)-1-methyl-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)-2-methyl-2-butenoate 1,9-bis[N-Methylpyrrolidino[2,3-b]-2,3-dihydroindol-4'-yl]-3,7-dimethyl-4-oxo-5-oxanona-2,7-diene 1,9-Di(9')(2',4'-diaza-4'methyl-tricyclo[6.4.0.0(3',7')]dodeca-9',11',1'(8')-triene)-3,7-dimethyl-5-oxa-4-oxo-nona-2,7-diene Pseudophrynamine A
Wiley ID 1400884