N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(2-methoxybenzyl)amino]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]-3,3-dimethylbutanamide
11466
Reference
N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(2-methoxybenzyl)amino]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]-3,3-dimethylbutanamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-8-Hydroxy-7-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide
ID: Reference11466
Other Names: NAT5-396680
Formula: C29H46N2O4
Spectral Data
N-[(1S,2S,8S,8aS)-8-Hydroxy-7-{(2S)-1-[(2-methoxybenzyl)amino]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]-3,3-dimethylbutanamide 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 | 1 |
| No. of Spectra | 2739 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/15/2022 2:48:13 PM |
Identificators
| InChI | InChI=1S/C29H46N2O4/c1-18(27(34)30-17-20-10-8-9-11-23(20)35-7)21-12-14-29(6)15-13-22(19(2)25(29)26(21)33)31-24(32)16-28(3,4)5/h8-11,18-19,21-22,25-26,33H,12-17H2,1-7H3,(H,30,34)(H,31,32)/t18-,19+,21?,22-,25+,26-,29-/m0/s1 |
| InChI Key | LJMWVXYPXIPNLC-GXZMKGDVSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=C3OC)O)C)NC(=O)CC(C)(C)C |
| CAS | |
| Splash | |
| Other Names | NAT5-396680 |