(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}-N-methyl-N-(3-pyridinylmethyl)propanamide

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Systematic / IUPAC Name: (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-methyl-N-(pyridin-3-ylmethyl)propanamide

ID: Reference12651

Other Names: NAT5-397347

Formula: C30H41N3O3

Spectral Data

(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}-N-methyl-N-(3-pyridinylmethyl)propanamide 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 1610
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/14/2023 9:42:28 AM
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Identificators

InChI InChI=1S/C30H41N3O3/c1-20(29(36)33(4)19-23-11-8-16-31-18-23)24-12-14-30(3)15-13-25(21(2)27(30)28(24)35)32-26(34)17-22-9-6-5-7-10-22/h5-11,16,18,20-21,24-25,27-28,35H,12-15,17,19H2,1-4H3,(H,32,34)/t20-,21+,24?,25-,27+,28-,30-/m0/s1
InChI Key BRVHSTWIXYKSJV-CFERKFDVSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N(C)CC3=CN=CC=C3)O)C)NC(=O)CC4=CC=CC=C4
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Other Names NAT5-397347

In Other Databases

ChemSpider 22805990
PubChem 45361530