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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)-, [3R-(3R*,3aR*,15S*)]-
SpectraBase Compound ID CfafnIEWj1B
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)/t23?,26-,27+/m1/s1
InChIKey ASCIWXOCZAWSON-VNCAGCHFSA-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 92YKJANtVw3
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)-, [3R-(3R*,3aR*,15S*)]-
CAS Registry Number 71461-13-7
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)/t23?,26-,27+/m1/s1
InChIKey ASCIWXOCZAWSON-VNCAGCHFSA-N
Molecular Weight 492.620 g/mol
SMILES N1C(CC2c3ccc4c([C@]([C@](c5ccc(cc5)O)(O4)[H])(C(N(CCC1)CCCCNCCCN2)=O)[H])c3)=O
SPLASH splash10-05gi-9800000000-71de0d2907365aba282d
Source of Spectrum H-62-2720-0
Synonyms 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)-, (3R,3aR,15S)- Ephedradine A Orantin Orantine CCRIS 3986
Wiley ID 1397593