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4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-
SpectraBase Compound ID DHrff90gl7d
InChI InChI=1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)
InChIKey ASCIWXOCZAWSON-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C28H36N4O4
Exact Mass 492.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbHVlyWq0nv
Name 4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-
Alternate Name(s) Aphelandrine
CAS Registry Number 75363-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N4O4
InChI InChI=1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)
InChIKey ASCIWXOCZAWSON-UHFFFAOYSA-N
Molecular Weight 492.620 g/mol
SMILES N1C(CC2c3ccc4c(c3)C(C(c3ccc(cc3)O)O4)C(N(CCCCNCCCN2)CCC1)=O)=O
SPLASH splash10-0feb-9880200000-11350f8babe9f7187ad7
Source of Spectrum W5-36568-28968-28968
Wiley ID 1397591