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 |
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 |