17,18-Dichloro-13-ethyl-3-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone
17,18-Dichloro-13-ethyl-3-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone Structure
Systematic / IUPAC Name: 17,18-Dichloro-13-ethyl-3-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone
ID: Reference7706
Other Names: Pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone, 17,18-dichloro-13-ethyldodecahydro-3-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyl-
Formula: C25H33Cl2N5O7
Spectral Data
17,18-Dichloro-13-ethyl-3-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyldodecahydropyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/5/2018 9:23:41 AM |
Identificators
| InChI | InChI=1S/C25H33Cl2N5O7/c1-3-15-25(39)32-10-14(26)19(27)21(32)24(38)31-20(12(2)34)23(37)30-17(11-33)22(36)29-16(9-18(35)28-15)13-7-5-4-6-8-13/h4-8,12,14-17,19-21,33-34H,3,9-11H2,1-2H3,(H,28,35)(H,29,36)(H,30,37)(H,31,38) |
| InChI Key | DQILVZOWLYBPKT-UHFFFAOYSA-N |
| Canonical SMILES | CCC1C(=O)N2CC(C(C2C(=O)NC(C(=O)NC(C(=O)NC(CC(=O)N1)C3=CC=CC=C3)CO)C(C)O)Cl)Cl |
| CAS | |
| Splash | |
| Other Names | Pyrrolo[1,2-d][1,4,7,10,13]pentaazacyclohexadecine-1,4,7,11,14(8H)-pentone, 17,18-dichloro-13-ethyldodecahydro-3-(1-hydroxyethyl)-6-(hydroxymethyl)-9-phenyl- |