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

ID: Reference13333

Other Names: 2-Naphthaleneacetamide, decahydro-1-hydroxy-α,4a,8-trimethyl-7-[(2-phenylacetyl)amino]-N-(2-thienylmethyl)-, (alphas,1S,7S,8S,8aS)-;
NAT5-397344

Formula: C28H38N2O3S

Spectral Data

(2S)-2-{(1S,7S,8S,8aS)-1-Hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}-N-(2-thienylmethyl)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 3350
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/31/2025 12:06:51 PM
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Identificators

InChI InChI=1S/C28H38N2O3S/c1-18(27(33)29-17-21-10-7-15-34-21)22-11-13-28(3)14-12-23(19(2)25(28)26(22)32)30-24(31)16-20-8-5-4-6-9-20/h4-10,15,18-19,22-23,25-26,32H,11-14,16-17H2,1-3H3,(H,29,33)(H,30,31)/t18-,19+,22?,23-,25+,26-,28-/m0/s1
InChI Key WBFVEQDJXGHCAM-MDMTYYKYSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CS3)O)C)NC(=O)CC4=CC=CC=C4
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Other Names 2-Naphthaleneacetamide, decahydro-1-hydroxy-α,4a,8-trimethyl-7-[(2-phenylacetyl)amino]-N-(2-thienylmethyl)-, (alphas,1S,7S,8S,8aS)-;
NAT5-397344

In Other Databases

ChemSpider 22805989
PubChem 45361529