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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ikef1roACof
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
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@]1(C(C[C@@]2(OC(C(C2[C@@](\C=C\(CC1)C)(O)[H])CN(CCCC)CCCC)=O)[H])=C)[H]
SPLASH splash10-00m1-9321000000-beb0afea6ba32d61fd86
Source of Spectrum X3-36-290-5
Synonyms 1,6-Dihydroxy-7.alpha.,11.alpha.(H),1.beta.,6.beta.,8.beta.(H)-4(5),10(14)-dien-13-(N,N-dibutylamino)-Germacr-8,12-olide (4R,5E,9S,11aS)-3-[(dibutylamino)methyl]-4,9-dihydroxy-6-methyl-10-methylidene-3,3a,4,7,8,9,11,11a-octahydrocyclodeca[b]furan-2-one (4R,5E,9S,11aS)-3-[(dibutylamino)methyl]-6-methyl-10-methylidene-4,9-bis(oxidanyl)-3,3a,4,7,8,9,11,11a-octahydrocyclodeca[b]furan-2-one
Wiley ID 1691825