(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-7-[(3-methoxypropanoyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}-N-(4-methoxybenzyl)propanamide
12784
Reference
(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-7-[(3-methoxypropanoyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}-N-(4-methoxybenzyl)propanamide Structure
Systematic / IUPAC Name: (2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
ID: Reference12784
Other Names: NAT5-397797
Formula: C27H42N2O5
Spectral Data
(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-7-[(3-methoxypropanoyl)amino]-4a,8-dimethyldecahydro-2-naphthalenyl}-N-(4-methoxybenzyl)propanamide 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 | 2501 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/26/2023 8:59:16 AM |
Identificators
| InChI | InChI=1S/C27H42N2O5/c1-17(26(32)28-16-19-6-8-20(34-5)9-7-19)21-10-13-27(3)14-11-22(18(2)24(27)25(21)31)29-23(30)12-15-33-4/h6-9,17-18,21-22,24-25,31H,10-16H2,1-5H3,(H,28,32)(H,29,30)/t17-,18+,21?,22-,24+,25-,27-/m0/s1 |
| InChI Key | YDPSUTJPEMOMPA-UQFYLNKCSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=C(C=C3)OC)O)C)NC(=O)CCOC |
| CAS | |
| Splash | |
| Other Names | NAT5-397797 |