(2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(2-phenylacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-benzylpropanamide

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Systematic / IUPAC Name: (2S)-N-Benzyl-2-{(1S,7S,8S,8aS)-1-hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}propanamide

ID: Reference13346

Other Names: NAT5-397309

Formula: C30H40N2O3

Spectral Data

(2S)-2-[(1S,4aS,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(2-phenylacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-benzylpropanamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 3139
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2025 2:35:01 PM
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Identificators

InChI InChI=1S/C30H40N2O3/c1-20(29(35)31-19-23-12-8-5-9-13-23)24-14-16-30(3)17-15-25(21(2)27(30)28(24)34)32-26(33)18-22-10-6-4-7-11-22/h4-13,20-21,24-25,27-28,34H,14-19H2,1-3H3,(H,31,35)(H,32,33)/t20-,21+,24?,25-,27+,28-,30-/m0/s1
InChI Key VENOAZQBYVVOMY-CFERKFDVSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CC=C3)O)C)NC(=O)CC4=CC=CC=C4
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Other Names NAT5-397309

In Other Databases

PubChem 45361514