(2S)-N-(2-Furylmethyl)-2-{(1S,2S,7S,8S,8aS)-1-hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}propanamide

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Systematic / IUPAC Name: (2S)-2-[(1S,2S,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-(furan-2-ylmethyl)propanamide

ID: Reference13326

Other Names: NAT5-397320

Formula: C28H38N2O4

Spectral Data

(2S)-N-(2-Furylmethyl)-2-{(1S,2S,7S,8S,8aS)-1-hydroxy-4a,8-dimethyl-7-[(phenylacetyl)amino]decahydro-2-naphthalenyl}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 3063
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/17/2025 8:16:51 PM
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Identificators

InChI InChI=1S/C28H38N2O4/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 IKEBNTDUYDJHBQ-UOIVBLOGSA-N
Canonical SMILES CC1C(CCC2(C1C(C(CC2)C(C)C(=O)NCC3=CC=CO3)O)C)NC(=O)CC4=CC=CC=C4
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Other Names NAT5-397320

In Other Databases

PubChem 28962887
ChemSpider 62628244