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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-methoxyphenyl)-, [3R-(3R*,3aR*,15S*)]-

View entire compound with spectra: 1 MS (GC)

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-methoxyphenyl)-, [3R-(3R*,3aR*,15S*)]-
SpectraBase Compound ID LaAAatqakBC
InChI InChI=1S/C29H38N4O4/c1-3-11-31-28-27(34)24-15-21-18-37-19-22(21)16-30-12-4-5-13-33(28)29(35)25(17-32-14-10-26(24)32)20-6-8-23(36-2)9-7-20/h6-9,18-19,24-26,30H,3-5,10-17H2,1-2H3/b31-28+/t24?,25-,26-/m0/s1
InChIKey NLAKJTZIGCQLGT-AXMZZUOLSA-N
Mol Weight 506.6 g/mol
Molecular Formula C29H38N4O4
Exact Mass 506.289306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2946xXMhgrP
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-methoxyphenyl)-, [3R-(3R*,3aR*,15S*)]-
CAS Registry Number 64366-67-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N4O4
InChI InChI=1S/C29H38N4O4/c1-3-11-31-28-27(34)24-15-21-18-37-19-22(21)16-30-12-4-5-13-33(28)29(35)25(17-32-14-10-26(24)32)20-6-8-23(36-2)9-7-20/h6-9,18-19,24-26,30H,3-5,10-17H2,1-2H3/b31-28+/t24?,25-,26-/m0/s1
InChIKey NLAKJTZIGCQLGT-AXMZZUOLSA-N
Molecular Weight 506.647 g/mol
SMILES N1Cc2c(CC3[C@@]4(CCN4C[C@](C(N(CCCC1)\C(C3=O)=N/CCC)=O)(c1ccc(cc1)OC)[H])[H])coc2
SPLASH splash10-053s-9543220000-8cd125a83e6a1e7aea51
Source of Spectrum H-62-2719-0
Synonyms (1S,16R,23E)-16-(4-methoxyphenyl)-23-[(E)-propylimino]-5-oxa-9,14,18-triazatetracyclo[12.7.2.0(3,7).0(18,21)]tricosa-3,6-diene-15,22-dione O-methylorantin O-methylorantine
Wiley ID 1399878