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9,10-Ethanoanthracene-9(10H)-ethanol, 2-hydroxy-3-methoxy-.alpha.-[(methylamino)methyl]-, [9.alpha.(R*),10.beta.]-
SpectraBase Compound ID 4XnYftPYmhA
InChI InChI=1S/C21H25NO3/c1-22-12-13(23)11-21-8-7-14(15-5-3-4-6-17(15)21)16-9-20(25-2)19(24)10-18(16)21/h3-6,9-10,13-14,22-24H,7-8,11-12H2,1-2H3/t13-,14+,21-/m1/s1
InChIKey QTLZHPAZEIXQBH-HKZYLEAXSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gpi0VwFndtC
Name 9,10-Ethanoanthracene-9(10H)-ethanol, 2-hydroxy-3-methoxy-.alpha.-[(methylamino)methyl]-, [9.alpha.(R*),10.beta.]-
Alternate Name(s) (1R,8S)-1-[(2R)-2-hydroxy-3-(methylamino)propyl]-5-methoxytetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-4-ol (9R*,2'R*)-2-Hydroxy-3-methoxyoxaprotiline (9R*,2'S*)-3-Hydroxy-2-methoxyoxaprotiline
CAS Registry Number 94696-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-22-12-13(23)11-21-8-7-14(15-5-3-4-6-17(15)21)16-9-20(25-2)19(24)10-18(16)21/h3-6,9-10,13-14,22-24H,7-8,11-12H2,1-2H3/t13-,14+,21-/m1/s1
InChIKey QTLZHPAZEIXQBH-HKZYLEAXSA-N
Molecular Weight 339.435 g/mol
SMILES Oc1c(cc2c([C@@]3(C[C@](CNC)(O)[H])CC[C@@]2([H])c2c3cccc2)c1)OC
SPLASH splash10-000i-2292000000-9df541403e019ad59065
Source of Spectrum H-67-2086-0
Wiley ID 1334643