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4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 10,14-diacetyl-3-[4-(acetyloxy)phenyl]-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-, [3R-(3R*,3aR*,15S*)]-
SpectraBase Compound ID JWPv8ww36S8
InChI InChI=1S/C34H42N4O7/c1-22(39)36-15-4-5-16-37-17-6-14-35-31(42)21-29(38(23(2)40)19-7-18-36)26-10-13-30-28(20-26)32(34(37)43)33(45-30)25-8-11-27(12-9-25)44-24(3)41/h8-13,20,29,32-33H,4-7,14-19,21H2,1-3H3,(H,35,42)/t29?,32-,33?/m0/s1
InChIKey HGLIEVSRYHDKHE-DCJVNUMCSA-N
Mol Weight 618.7 g/mol
Molecular Formula C34H42N4O7
Exact Mass 618.30535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OridXRAIFV
Name 4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 10,14-diacetyl-3-[4-(acetyloxy)phenyl]-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-, [3R-(3R*,3aR*,15S*)]-
CAS Registry Number 71657-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H42N4O7
InChI InChI=1S/C34H42N4O7/c1-22(39)36-15-4-5-16-37-17-6-14-35-31(42)21-29(38(23(2)40)19-7-18-36)26-10-13-30-28(20-26)32(34(37)43)33(45-30)25-8-11-27(12-9-25)44-24(3)41/h8-13,20,29,32-33H,4-7,14-19,21H2,1-3H3,(H,35,42)/t29?,32-,33?/m0/s1
InChIKey HGLIEVSRYHDKHE-DCJVNUMCSA-N
Molecular Weight 618.731 g/mol
SMILES N1C(CC2c3ccc4c([C@](C(N(CCC1)CCCCN(CCCN2C(=O)C)C(=O)C)=O)(C(O4)c1ccc(OC(=O)C)cc1)[H])c3)=O
SPLASH splash10-0f6y-3941000000-b98716d14388f9c637f5
Source of Spectrum H-62-2720-0
Synonyms 4-[(11S,18R)-6,10-diacetyl-19,24-dioxo-16-oxa-1,6,10,23-tetraazatetracyclo[9.8.6.2(12,15).0(14,18)]heptacosa-12,14,26-trien-17-yl]phenyl acetate Ephedradine A N,N',o-triacetate Ephedradine A triacetate N(6),n(10),o(34)-triacetylorantin N,N',O-triacetylephedradine A
Wiley ID 1411410