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1H-Pyrido[3',4':5,6]cyclooct[1,2-b]indole-1,6(2H)-dione, 4-ethyl-3,4,4a,5,7,13a-hexahydro-2-methyl-, [4S-(4.alpha.,4a.alpha.,13a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1H-Pyrido[3',4':5,6]cyclooct[1,2-b]indole-1,6(2H)-dione, 4-ethyl-3,4,4a,5,7,13a-hexahydro-2-methyl-, [4S-(4.alpha.,4a.alpha.,13a.alpha.)]-
SpectraBase Compound ID OvLFdoNu4M
InChI InChI=1S/C20H22N2O2/c1-3-12-11-22(2)20(24)15-9-8-14-13-6-4-5-7-17(13)21-19(14)18(23)10-16(12)15/h4-9,12,15-16,21H,3,10-11H2,1-2H3/b9-8-/t12-,15+,16+/m1/s1
InChIKey YNPSSZOAHYCMMM-HQHAHJIVSA-N
Mol Weight 322.41 g/mol
Molecular Formula C20H22N2O2
Exact Mass 322.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7Evn9tVfYy
Name 1H-Pyrido[3',4':5,6]cyclooct[1,2-b]indole-1,6(2H)-dione, 4-ethyl-3,4,4a,5,7,13a-hexahydro-2-methyl-, [4S-(4.alpha.,4a.alpha.,13a.alpha.)]-
CAS Registry Number 57605-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O2
InChI InChI=1S/C20H22N2O2/c1-3-12-11-22(2)20(24)15-9-8-14-13-6-4-5-7-17(13)21-19(14)18(23)10-16(12)15/h4-9,12,15-16,21H,3,10-11H2,1-2H3/b9-8-/t12-,15+,16+/m1/s1
InChIKey YNPSSZOAHYCMMM-HQHAHJIVSA-N
Molecular Weight 322.408 g/mol
SMILES [nH]1c2ccccc2c2c1C(C[C@]1([C@@](CN(C([C@]1(\C=C/2)[H])=O)C)(CC)[H])[H])=O
SPLASH splash10-00e9-0977000000-71959149bad6e680cb36
Source of Spectrum B-28-1852-0
Synonyms (4S,4aS,13aS)-4-ethyl-2-methyl-3,4,4a,5,7,13a-hexahydro-1H-pyrido[3',4':5,6]cycloocta[1,2-b]indole-1,6(2H)-dione 4a.beta.,13a.alpha.-2-aza-4.beta.-ethyl-2-methyl-12-ene indolo(3,2-4,5)bicyclo[6.4.0]dodecan-1,6-dione Lactam derivative of tabernaemontanine (isomer a)
Wiley ID 1321963