N-[(1S,3aS,5S,7aR)-7a-{3-[(2-Furylmethyl)amino]-3-oxopropyl}-5-hydroxy-3,3,5-trimethyloctahydro-1H-inden-1-yl]benzamide

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Systematic / IUPAC Name: N-[(1S,3aS,5S,7aR)-7a-[3-(Furan-2-ylmethylamino)-3-oxopropyl]-5-hydroxy-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]benzamide

ID: Reference9614

Other Names: 3aH-Indene-3a-propanamide, 3-(benzoylamino)-N-(2-furanylmethyl)octahydro-6-hydroxy-1,1,6-trimethyl-, (3S,3aR,6S,7aS)-;
NAT24-399750

Formula: C27H36N2O4

Spectral Data

N-[(1S,3aS,5S,7aR)-7a-{3-[(2-Furylmethyl)amino]-3-oxopropyl}-5-hydroxy-3,3,5-trimethyloctahydro-1H-inden-1-yl]benzamide 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 1849
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2020 6:29:38 AM
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Identificators

InChI InChI=1S/C27H36N2O4/c1-25(2)17-22(29-24(31)19-8-5-4-6-9-19)27(14-13-26(3,32)16-21(25)27)12-11-23(30)28-18-20-10-7-15-33-20/h4-10,15,21-22,32H,11-14,16-18H2,1-3H3,(H,28,30)(H,29,31)/t21-,22-,26-,27-/m0/s1
InChI Key HZSYMCOGQGBCIL-XQVMISGQSA-N
Canonical SMILES CC1(CC(C2(C1CC(CC2)(C)O)CCC(=O)NCC3=CC=CO3)NC(=O)C4=CC=CC=C4)C
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Other Names 3aH-Indene-3a-propanamide, 3-(benzoylamino)-N-(2-furanylmethyl)octahydro-6-hydroxy-1,1,6-trimethyl-, (3S,3aR,6S,7aS)-;
NAT24-399750

In Other Databases

PubChem 25339708
ChemSpider 21383547