N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]-8-hydroxy-1,4a-dimethyldecahydro-2-naphthalenyl}-3,3-dimethylbutanamide

enlarge

Systematic / IUPAC Name: N-[(1S,2S,4aS,8S,8aS)-7-[(2S)-1-(Benzylamino)-1-oxopropan-2-yl]-8-hydroxy-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide

ID: Reference12134

Other Names: NAT5-396664

Formula: C28H44N2O3

Spectral Data

N-{(1S,2S,8S,8aS)-7-[(2S)-1-(Benzylamino)-1-oxo-2-propanyl]-8-hydroxy-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 3338
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/16/2023 1:21:53 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C28H44N2O3/c1-18(26(33)29-17-20-10-8-7-9-11-20)21-12-14-28(6)15-13-22(19(2)24(28)25(21)32)30-23(31)16-27(3,4)5/h7-11,18-19,21-22,24-25,32H,12-17H2,1-6H3,(H,29,33)(H,30,31)/t18-,19+,21?,22-,24+,25-,28-/m0/s1
InChI Key FMQKELQSMIOHRW-TYBDQHKBSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=C3)O)C)NC(=O)CC(C)(C)C
CAS
Splash
Other Names NAT5-396664

In Other Databases

ChemSpider 22805866
PubChem 45361411