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6H-Pyrido[3',4':5,6]cyclooct[1,2-b]indol-6-one, 4-ethyl-1,2,3,4,4a,5,7,13a-octahydro-2,7-dimethyl-, [4S-(4.alpha.,4a.alpha.,13a.beta.)]-
SpectraBase Compound ID GZyhdq42eWx
InChI InChI=1S/C21H26N2O/c1-4-14-12-22(2)13-15-9-10-17-16-7-5-6-8-19(16)23(3)21(17)20(24)11-18(14)15/h5-10,14-15,18H,4,11-13H2,1-3H3/b10-9-/t14-,15+,18+/m1/s1
InChIKey HBFCUPCJQTWSKL-LVXFBRHCSA-N
Mol Weight 322.45 g/mol
Molecular Formula C21H26N2O
Exact Mass 322.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CN0kK3ByZ5Q
Name 6H-Pyrido[3',4':5,6]cyclooct[1,2-b]indol-6-one, 4-ethyl-1,2,3,4,4a,5,7,13a-octahydro-2,7-dimethyl-, [4S-(4.alpha.,4a.alpha.,13a.beta.)]-
CAS Registry Number 57567-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O
InChI InChI=1S/C21H26N2O/c1-4-14-12-22(2)13-15-9-10-17-16-7-5-6-8-19(16)23(3)21(17)20(24)11-18(14)15/h5-10,14-15,18H,4,11-13H2,1-3H3/b10-9-/t14-,15+,18+/m1/s1
InChIKey HBFCUPCJQTWSKL-LVXFBRHCSA-N
Molecular Weight 322.452 g/mol
SMILES c12c(c3ccccc3[n]2C)\C=C/[C@@]2([C@@](CC1=O)([C@@](CN(C)C2)(CC)[H])[H])[H]
SPLASH splash10-00yi-0926000000-9b1fec7b4728597e3fce
Source of Spectrum B-28-1855-0
Synonyms (4S,4aS,13aR)-4-ethyl-2,7-dimethyl-1,2,3,4,4a,5,7,13a-octahydro-6H-pyrido[3',4':5,6]cycloocta[1,2-b]indol-6-one 4a.beta.,13a.alpha.-2-aza-4.beta.-ethyl-2,7-dimethyl-12-eneindolo(3,2-4,5)bicyclic(6.4.0)dodecan-6-one
Wiley ID 1322092