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11-Methoxy-2,7-dihydrotetraphylline
SpectraBase Compound ID 3IkEWBfzw35
InChI InChI=1S/C22H28N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15-17,20-21,23H,6-7,9-10H2,1-3H3/t12-,15+,16-,17+,20-,21-/m0/s1
InChIKey ILDIZKYNOLNWSN-QVTRKAGLSA-N
Mol Weight 384.48 g/mol
Molecular Formula C22H28N2O4
Exact Mass 384.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJGmXs2guTK
Name 11-Methoxy-2,7-dihydrotetraphylline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O4
InChI InChI=1S/C22H28N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15-17,20-21,23H,6-7,9-10H2,1-3H3/t12-,15+,16-,17+,20-,21-/m0/s1
InChIKey ILDIZKYNOLNWSN-QVTRKAGLSA-N
Molecular Weight 384.476 g/mol
SMILES N1c2cc(ccc2[C@]2(CCN3[C@]([C@@]12[H])(C[C@]1([C@](C3)([C@@](OC=C1C(=O)OC)(C)[H])[H])[H])[H])[H])OC
SPLASH splash10-00di-0092000000-235fd05be1b8aa1caa40
Source of Spectrum F-52-9075-1
Synonyms Methyl (2alpha,7alpha,19alpha)-11-methoxy-19-methyl-16,17-didehydro-2,7-dihydrooxayohimban-16-carboxylate
Wiley ID 797366