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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-22-benzoyl-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-methoxyphenyl)-
SpectraBase Compound ID 9xAHX2Rc52U
InChI InChI=1S/C40H46N4O7/c1-27(45)41-19-7-8-20-42-22-10-24-44(39(48)30-11-5-4-6-12-30)36(47)26-34(43(28(2)46)23-9-21-41)31-15-18-35-33(25-31)37(40(42)49)38(51-35)29-13-16-32(50-3)17-14-29/h4-6,11-18,25,34,37-38H,7-10,19-24,26H2,1-3H3
InChIKey QWDUBRBGKMJJHB-UHFFFAOYSA-N
Mol Weight 694.8 g/mol
Molecular Formula C40H46N4O7
Exact Mass 694.33665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Cnh9fa5KWw
Name 4H-1,16-Etheno-5,15-(propaniminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, 10,14-diacetyl-22-benzoyl-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-methoxyphenyl)-
CAS Registry Number 69721-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H46N4O7
InChI InChI=1S/C40H46N4O7/c1-27(45)41-19-7-8-20-42-22-10-24-44(39(48)30-11-5-4-6-12-30)36(47)26-34(43(28(2)46)23-9-21-41)31-15-18-35-33(25-31)37(40(42)49)38(51-35)29-13-16-32(50-3)17-14-29/h4-6,11-18,25,34,37-38H,7-10,19-24,26H2,1-3H3
InChIKey QWDUBRBGKMJJHB-UHFFFAOYSA-N
Molecular Weight 694.829 g/mol
SMILES CC(N1CCCCN2CCCN(C(CC(c3ccc4c(c3)C(C(c3ccc(cc3)OC)O4)C2=O)N(CCC1)C(C)=O)=O)C(c1ccccc1)=O)=O
SPLASH splash10-0ab9-2911000000-3c29b113e2487e4d5480
Source of Spectrum H-61-2669-0
Synonyms N(6),N(10)-Diacetyl-N(23)-benzoyl-O(34)-methyl-aphelandrine N6,N10-Diacetyl-N23-benzoyl-O-methylaphelandrine
Wiley ID 1414874