![3,6,9,17,20,23-Hexaazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11,13,15(30),16,23,25,27-decaene-29,30-diol, 13,27-dichloro-](/api/spectrum/8qffAVO3lKy/structure.png?h=300&w=458 "3,6,9,17,20,23-Hexaazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11,13,15(30),16,23,25,27-decaene-29,30-diol, 13,27-dichloro-")
| SpectraBase Compound ID | 5dS6Ga7xA7P |
|---|---|
| InChI | InChI=1S/C24H28Cl2N6O2/c25-21-9-17-13-29-5-1-27-2-6-30-14-18-10-22(26)12-20(24(18)34)16-32-8-4-28-3-7-31-15-19(11-21)23(17)33/h9-16,27-28,33-34H,1-8H2/b29-13-,30-14-,31-15-,32-16- |
| InChIKey | PGEIYGALBHUSDN-WQEFAGFHSA-N |
| Mol Weight | 503.43 g/mol |
| Molecular Formula | C24H28Cl2N6O2 |
| Exact Mass | 502.16508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8qffAVO3lKy |
|---|---|
| Name | 3,6,9,17,20,23-Hexaazatricyclo[23.3.1.111,15]triaconta-1(29),2,9,11,13,15(30),16,23,25,27-decaene-29,30-diol, 13,27-dichloro- |
| CAS Registry Number | 100198-75-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H28Cl2N6O2 |
| InChI | InChI=1S/C24H28Cl2N6O2/c25-21-9-17-13-29-5-1-27-2-6-30-14-18-10-22(26)12-20(24(18)34)16-32-8-4-28-3-7-31-15-19(11-21)23(17)33/h9-16,27-28,33-34H,1-8H2/b29-13-,30-14-,31-15-,32-16- |
| InChIKey | PGEIYGALBHUSDN-WQEFAGFHSA-N |
| Molecular Weight | 503.434 g/mol |
| SMILES | N1CC\N=C/c2c(c(cc(c2)Cl)\C=N/CCNCC\N=C/c2cc(cc(c2O)\C=N/CC1)Cl)O |
| SPLASH | splash10-00di-9220120000-ca7743743f8d98cc2c6f |
| Source of Spectrum | O-21-187-4 |
| Synonyms | 13,27-Dichloro-29,30-dihydroxy-3,6,9,17,20,23-hexaazatricyclo(23,3,1(1,25)1(11,15))-tricont-1(29)2,9,11(30),12,14,16,23,25,27-decaene 13,27-Dichloro-29,30-dihydroxy-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 13,27-dichloro-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-29,30-diol |
| Wiley ID | 1399152 |