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3,7,11,19,23,27-Hexaazatricyclo[27.3.1.113,17]tetratriaconta-1(33),2,11,13,15,17(34),18,27,29,31-decaene-33,34-diol, 15,31-dichloro-7,23-dimethyl-
SpectraBase Compound ID AInGBCSYPiy
InChI InChI=1S/C30H40Cl2N6O2/c1-37-11-3-7-33-19-23-15-27(31)17-25(29(23)39)21-35-9-5-13-38(2)14-6-10-36-22-26-18-28(32)16-24(30(26)40)20-34-8-4-12-37/h15-22,39-40H,3-14H2,1-2H3/b33-19-,34-20-,35-21-,36-22-
InChIKey GZBAUYLFNIDMKO-ANDSVKPHSA-N
Mol Weight 587.6 g/mol
Molecular Formula C30H40Cl2N6O2
Exact Mass 586.25898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYc4pz8oWpl
Name 3,7,11,19,23,27-Hexaazatricyclo[27.3.1.113,17]tetratriaconta-1(33),2,11,13,15,17(34),18,27,29,31-decaene-33,34-diol, 15,31-dichloro-7,23-dimethyl-
CAS Registry Number 105285-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H40Cl2N6O2
InChI InChI=1S/C30H40Cl2N6O2/c1-37-11-3-7-33-19-23-15-27(31)17-25(29(23)39)21-35-9-5-13-38(2)14-6-10-36-22-26-18-28(32)16-24(30(26)40)20-34-8-4-12-37/h15-22,39-40H,3-14H2,1-2H3/b33-19-,34-20-,35-21-,36-22-
InChIKey GZBAUYLFNIDMKO-ANDSVKPHSA-N
Molecular Weight 587.596 g/mol
SMILES Oc1c2\C=N/CCCN(CCC\N=C/c3c(c(\C=N/CCCN(CCC\N=C/c1cc(c2)Cl)C)cc(c3)Cl)O)C
SPLASH splash10-0zfr-0940010000-cc16be37517f35f720cb
Source of Spectrum O-21-187-5
Synonyms 13,27-Dichloro-29,30-dihydroxy-6,20-dimethyl-3,6,9,17,20,23-hexaazatricyclo[23.3.1.1(11,15)]triaconta-1(29),2,9,11(30),12,14,16,23,25,27-decaene 15,31-dichloro-7,23-dimethyl-3,7,11,19,23,27-hexaazatricyclo[27.3.1.1(13,17)]tetratriaconta-1(33),2,11,13(34),14,16,18,27,29,31-decaene-33,34-diol 3,7,11,19,23,27-Hexaazatricyclo[27.3.1(1.29).1(13.17)]tetratriacont-1(33),2,11,13,15,17(34),18,27,29,31-decaene, 15,31-dichloro-33,34-dihydroxy-7,23-dimethyl- 7,23-Dimethyl-15,31-dichloro-33,34-dihydroxy-3,7,11,19,23,27-hexaazatricyclo[27.3.1(1,29).1(13,17)]tetratricont-1(33),2,11,13(14),15,17(34),18,27,29,31-decaene
Wiley ID 1409015