N-[(3S,3aS,8S,9S,9aS,9bS)-3,5a,9-Trimethyl-2-oxododecahydronaphtho[1,2-b]furan-8-yl]benzamide
12706
Reference
N-[(3S,3aS,8S,9S,9aS,9bS)-3,5a,9-Trimethyl-2-oxododecahydronaphtho[1,2-b]furan-8-yl]benzamide Structure
Systematic / IUPAC Name: N-[(3S,3aS,5aS,8S,9S,9aS,9bS)-3,5a,9-Trimethyl-2-oxo-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-8-yl]benzamide
ID: Reference12706
Other Names: NAT5-396618
Formula: C22H29NO3
Spectral Data
N-[(3S,3aS,8S,9S,9aS,9bS)-3,5a,9-Trimethyl-2-oxododecahydronaphtho[1,2-b]furan-8-yl]benzamide 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 | 1657 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/15/2023 8:24:27 AM |
Identificators
| InChI | InChI=1S/C22H29NO3/c1-13-16-9-11-22(3)12-10-17(14(2)18(22)19(16)26-21(13)25)23-20(24)15-7-5-4-6-8-15/h4-8,13-14,16-19H,9-12H2,1-3H3,(H,23,24)/t13-,14+,16-,17-,18+,19-,22-/m0/s1 |
| InChI Key | HZOOVAUKGSXUFK-IYGODTBCSA-N |
| Canonical SMILES | CC1C(CCC2(C1C3C(CC2)C(C(=O)O3)C)C)NC(=O)C4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT5-396618 |