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(E)-(4R,9S,11aS)-3-Dibutylaminomethyl-4,9-dihydroxy-6-methyl-10-methylene-3a,4,7,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-(4R,9S,11aS)-3-Dibutylaminomethyl-4,9-dihydroxy-6-methyl-10-methylene-3a,4,7,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
SpectraBase Compound ID 4VxAFPeuaht
InChI InChI=1S/C23H39NO4/c1-5-7-11-24(12-8-6-2)15-18-22-20(26)13-16(3)9-10-19(25)17(4)14-21(22)28-23(18)27/h13,18-22,25-26H,4-12,14-15H2,1-3H3/b16-13+/t18?,19-,20+,21-,22?/m0/s1
InChIKey FMPJGQYBTCBOGR-SDQNUNGRSA-N
Mol Weight 393.6 g/mol
Molecular Formula C23H39NO4
Exact Mass 393.287909 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LrOsfkrX8VO
Name (E)-(4R,9S,11As)-3-dibutylaminomethyl-4,9-dihydroxy-6-methyl-10-methylene-3A,4,7,8,9,10,11,11A-octahydro-3H-cyclodeca[B]furan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.287908736 u
Formula C23H39NO4
InChI InChI=1S/C23H39NO4/c1-5-7-11-24(12-8-6-2)15-18-22-20(26)13-16(3)9-10-19(25)17(4)14-21(22)28-23(18)27/h13,18-22,25-26H,4-12,14-15H2,1-3H3/b16-13+/t18?,19-,20+,21-,22?/m0/s1
InChIKey FMPJGQYBTCBOGR-SDQNUNGRSA-N
Molecular Weight 393.568 g/mol
SMILES C1(C(O[C@@]2(C1[C@@](\C=C\(CC[C@@](C(C2)=C)(O)[H])C)(O)[H])[H])=O)CN(CCCC)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858217