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Haplotonin

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

Haplotonin
SpectraBase Compound ID 1U84BrRtmvb
InChI InChI=1S/C25H26O8/c1-14(2)7-23(26)33-24(16-4-6-20-22(10-16)32-13-30-20)18-11-28-25(27)17(18)8-15-3-5-19-21(9-15)31-12-29-19/h3-6,9-10,14,17-18,24H,7-8,11-13H2,1-2H3/t17-,18+,24+/m1/s1
InChIKey UASRWCGDGKVOMI-YTZAWJCFSA-N
Mol Weight 454.48 g/mol
Molecular Formula C25H26O8
Exact Mass 454.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fmm10aGObKx
Name Haplotonin
Alternate Name(s) (R)-1,3-benzodioxol-5-yl[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxotetrahydro-3-furanyl]methyl 3-methylbutanoate 3-Methyl-butyric acid benzo[1,3]dioxol-5-yl-(4-benzo[1,3]dioxol-5-ylmethyl-5-oxo-tetrahydro-furan-3-yl)-methyl ester 3-Methylbutanoic acid[(R)-1,3-benzodioxol-5-yl-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-oxolanyl]methyl]ester 3-Methylbutyric acid[(R)-1,3-benzodioxol-5-yl-[(3R,4R)-5-keto-4-piperonyl-tetrahydrofuran-3-yl]methyl]ester 3-[(1',3'-Benzodioxolan-5'-yl)methyl]-3-[2'-dimethylethoxy)carbonyl]-4-[(1'',3''-benzodioxolan-5''-yl)ethyl]tetrahydrofuran-2-one 3-[(1',3'-Benzodioxolan-5'-yl)methyl]-3-[2'-dimethylethoxy)carbonyl]-4-[(1'',3''-benzodioxolan-5''-yl)ethyl]tetrahydrofuran-2-one [(R)-1,3-benzodioxol-5-yl-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-oxolan-3-yl]methyl]3-methylbutanoate [(R)-1,3-benzodioxol-5-yl-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-tetrahydrofuran-3-yl]methyl]3-methylbutanoate [(R)-1,3-benzodioxol-5-yl-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxooxolan-3-yl]methyl]3-methylbutanoate 3-Methylbutanoic acid [(R)-1,3-benzodioxol-5-yl-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-oxolanyl]methyl] ester [(R)-1,3-benzodioxol-5-yl-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxooxolan-3-yl]methyl] 3-methylbutanoate [(R)-1,3-benzodioxol-5-yl-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-tetrahydrofuran-3-yl]methyl] 3-methylbutanoate [(R)-1,3-benzodioxol-5-yl-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-oxolan-3-yl]methyl] 3-methylbutanoate
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Formula C25H26O8
InChI InChI=1S/C25H26O8/c1-14(2)7-23(26)33-24(16-4-6-20-22(10-16)32-13-30-20)18-11-28-25(27)17(18)8-15-3-5-19-21(9-15)31-12-29-19/h3-6,9-10,14,17-18,24H,7-8,11-13H2,1-2H3/t17-,18+,24+/m1/s1
InChIKey UASRWCGDGKVOMI-YTZAWJCFSA-N
Molecular Weight 454.475 g/mol
SMILES [C@@]1([C@](C(=O)OC1)(Cc1cc2OCOc2cc1)[H])([C@](c1cc2OCOc2cc1)(OC(=O)CC(C)C)[H])[H]
SPLASH splash10-0f9i-3900200000-1737fc98363d6fdc797b
Source of Spectrum AH-131-193-1
Wiley ID 770855