(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-5-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl (3,4-dichlorophenyl)carbamate
12679
Reference
(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-5-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl (3,4-dichlorophenyl)carbamate Structure
Systematic / IUPAC Name: [(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-yl] N-(3,4-dichlorophenyl)carbamate
ID: Reference12679
Other Names: NAT8-282979
Formula: C27H38Cl2N2O6
Spectral Data
(1R,2R,4aR,5S,6R)-6-Hydroxy-1-(hydroxymethyl)-5-{2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl (3,4-dichlorophenyl)carbamate 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 |
| No. of Spectral Trees | 2 |
| No. of Spectra | 4981 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/24/2023 5:12:29 PM |
Identificators
| InChI | InChI=1S/C27H38Cl2N2O6/c1-26-10-9-23(37-25(36)30-16-5-6-19(28)20(29)12-16)27(2,15-33)22(26)8-7-21(34)18(26)13-24(35)31-11-3-4-17(31)14-32/h5-6,12,17-18,21-23,32-34H,3-4,7-11,13-15H2,1-2H3,(H,30,36)/t17-,18+,21+,22?,23+,26-,27-/m0/s1 |
| InChI Key | HLTAQILUXYDILG-ZXQLIWNVSA-N |
| Canonical SMILES | CC12CCC(C(C1CCC(C2CC(=O)N3CCCC3CO)O)(C)CO)OC(=O)NC4=CC(=C(C=C4)Cl)Cl |
| CAS | |
| Splash | |
| Other Names | NAT8-282979 |