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1,5-Methanoazocino[1',2':1,2]pyrido[3,4-b]indol-3-ol, 1-ethyl-1,2,3,4,5,6,8,9,14,14b-decahydro-11-methoxy-, acetate (ester), [1S-(1.alpha.,3.beta.,5.alpha.,14b.alpha.)]-
SpectraBase Compound ID 3XJZYk6MBpe
InChI InChI=1S/C23H30N2O3/c1-4-23-11-15(9-17(12-23)28-14(2)26)13-25-8-7-18-19-10-16(27-3)5-6-20(19)24-21(18)22(23)25/h5-6,10,15,17,22,24H,4,7-9,11-13H2,1-3H3/t15-,17-,22+,23+/m0/s1
InChIKey AFUSWDVGGWUXMW-ZDVJEWIPSA-N
Mol Weight 382.5 g/mol
Molecular Formula C23H30N2O3
Exact Mass 382.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jpn9FDyp4C
Name 1,5-Methanoazocino[1',2':1,2]pyrido[3,4-b]indol-3-ol, 1-ethyl-1,2,3,4,5,6,8,9,14,14b-decahydro-11-methoxy-, acetate (ester), [1S-(1.alpha.,3.beta.,5.alpha.,14b.alpha.)]-
Alternate Name(s) (1R,2S,16R,18S)-1-ethyl-8-methoxy-4,14-diazapentacyclo[14.3.1.0(2,14).0(3,11).0(5,10)]icosa-3(11),5,7,9-tetraen-18-yl acetate Voaketone ethylene acetal
CAS Registry Number 59347-77-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O3
InChI InChI=1S/C23H30N2O3/c1-4-23-11-15(9-17(12-23)28-14(2)26)13-25-8-7-18-19-10-16(27-3)5-6-20(19)24-21(18)22(23)25/h5-6,10,15,17,22,24H,4,7-9,11-13H2,1-3H3/t15-,17-,22+,23+/m0/s1
InChIKey AFUSWDVGGWUXMW-ZDVJEWIPSA-N
Molecular Weight 382.504 g/mol
SMILES [nH]1c2ccc(cc2c2c1[C@]1(N(CC2)C[C@@]2(C[C@@]1(C[C@](C2)(OC(=O)C)[H])CC)[H])[H])OC
SPLASH splash10-000i-0569000000-c563b3b89ee17706d381
Source of Spectrum H-59-548-8
Wiley ID 1360711