(4aR,7aS,11aR,14aS)-3,3,7,7,10,10,14,14-octamethyl-1,2,4,4a,5,7a,8,9,11,11a,12,14a-dodecahydroquinolino[2,3-b]acridine

SpectraBase Compound ID	HE6oKQhQNrM
InChI	InChI=1S/C28H44N2/c1-25(2)11-9-17-23(15-25)29-21-13-20-22(14-19(21)27(17,5)6)30-24-16-26(3,4)12-10-18(24)28(20,7)8/h13-14,17-18,23-24,29-30H,9-12,15-16H2,1-8H3/t17-,18-,23-,24-/m1/s1
InChIKey	YETLMFIWUAWUFA-MCJPXMOYSA-N Google Search
Mol Weight	408.7 g/mol
Molecular Formula	C28H44N2
Exact Mass	408.350449 g/mol

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SpectraBase Spectrum ID	DUauv19nbQr
Name	(4ar,7as,11Ar,14AS)-3,3,7,7,10,10,14,14-octamethyl-1,2,4,4A,5,7A,8,9,11,11A,12,14A-dodecahydroquinolino[2,3-B]acridine
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	408.350449425 u
Formula	C28H44N2
InChI	InChI=1S/C28H44N2/c1-25(2)11-9-17-23(15-25)29-21-13-20-22(14-19(21)27(17,5)6)30-24-16-26(3,4)12-10-18(24)28(20,7)8/h13-14,17-18,23-24,29-30H,9-12,15-16H2,1-8H3/t17-,18-,23-,24-/m1/s1
InChIKey	YETLMFIWUAWUFA-MCJPXMOYSA-N
Molecular Weight	408.674 g/mol
SMILES	C12=C(N[C@]3([C@](C2(C)C)(CCC(C)(C)C3)[H])[H])C=C2C(=C1)N[C@]1([C@](CCC(C1)(C)C)([H])C2(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.88022