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1,6,10,22-Tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12,14,16(25)-triene-18,23-dione, 6,10-diacetyl-15-(acetyloxy)-17-[(4-methoxyphenyl)methyl]-
SpectraBase Compound ID Lvu4bWy159p
InChI InChI=1S/C35H46N4O7/c1-24(40)37-16-5-6-17-38-18-7-15-36-34(43)23-32(39(25(2)41)20-8-19-37)28-11-14-33(46-26(3)42)30(22-28)31(35(38)44)21-27-9-12-29(45-4)13-10-27/h9-14,22,31-32H,5-8,15-21,23H2,1-4H3,(H,36,43)
InChIKey YNYZSTRXIJPXEX-UHFFFAOYSA-N
Mol Weight 634.8 g/mol
Molecular Formula C35H46N4O7
Exact Mass 634.33665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31rKFNm6qHN
Name 1,6,10,22-Tetraazatricyclo[9.7.6.1(12,16)]pentacosa-12,14,16(25)-triene-18,23-dione, 6,10-diacetyl-15-(acetyloxy)-17-[(4-methoxyphenyl)methyl]-
Alternate Name(s) N(6),N(10),O(16)-Triacetyl-O(34)-methyl-16,17-dihydro-16,17-seco-aphelandrine
CAS Registry Number 69721-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H46N4O7
InChI InChI=1S/C35H46N4O7/c1-24(40)37-16-5-6-17-38-18-7-15-36-34(43)23-32(39(25(2)41)20-8-19-37)28-11-14-33(46-26(3)42)30(22-28)31(35(38)44)21-27-9-12-29(45-4)13-10-27/h9-14,22,31-32H,5-8,15-21,23H2,1-4H3,(H,36,43)
InChIKey YNYZSTRXIJPXEX-UHFFFAOYSA-N
Molecular Weight 634.774 g/mol
SMILES N1C(CC2N(CCCN(CCCCN(CCC1)C(C(c1c(ccc2c1)OC(C)=O)Cc1ccc(cc1)OC)=O)C(C)=O)C(C)=O)=O
SPLASH splash10-0006-3610090000-54ca13aec3b69407b7be
Source of Spectrum H-61-2666-0
Wiley ID 1412292