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6-[2',6',6'-Trimethyl-5'-bromotetrahydropyran-2'-yl]-2-[1"-(4"'-acetoxy-5"'-3-methoxy-4-methyl-4-penten-1-yl-5'''-methyltetrahydrofuran-2"'-yl)-1"-hydroxyethyl]-1,5-dioxa-9-methyl-(perhydro)-n

View entire compound with spectra: 1 MS (GC)

6-[2',6',6'-Trimethyl-5'-bromotetrahydropyran-2'-yl]-2-[1"-(4"'-acetoxy-5"'-3-methoxy-4-methyl-4-penten-1-yl-5'''-methyltetrahydrofuran-2"'-yl)-1"-hydroxyethyl]-1,5-dioxa-9-methyl-(perhydro)-n
SpectraBase Compound ID 6bSNrXzIR4c
InChI InChI=1S/C33H55BrO8/c1-20(2)22(37-10)13-16-31(7)27(38-21(3)35)19-28(41-31)33(9,36)26-12-11-24-30(6,40-26)18-15-25(39-24)32(8)17-14-23(34)29(4,5)42-32/h22-28,36H,1,11-19H2,2-10H3/t22-,23-,24-,25-,26+,27-,28-,30+,31+,32+,33-/m1/s1
InChIKey YIWMHMYTVLLVPO-NTMKTKEZSA-N
Mol Weight 659.7 g/mol
Molecular Formula C33H55BrO8
Exact Mass 658.308032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGGdygySiQD
Name 6-[2',6',6'-Trimethyl-5'-bromotetrahydropyran-2'-yl]-2-[1"-(4"'-acetoxy-5"'-3-methoxy-4-methyl-4-penten-1-yl-5'''-methyltetrahydrofuran-2"'-yl)-1"-hydroxyethyl]-1,5-dioxa-9-methyl-(perhydro)-n
Alternate Name(s) Acetyl-aplysqualenol A Hthalene Acetic acid [(2S,3R,5R)-5-[(1R)-1-[(2R,4aS,6S,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyl-2-oxanyl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-hydroxyethyl]-2-[(3R)-3-methoxy-4-methylpent-4-enyl]-2-methyl-3-oxolanyl] ester [(2S,3R,5R)-5-[(1R)-1-[(2R,4aS,6S,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-hydroxyethyl]-2-[(3R)-3-methoxy-4-methylpent-4-enyl]-2-methyloxolan-3-yl] acetate [(2S,3R,5R)-5-[(1R)-1-[(2R,4aS,6S,8aR)-2-[(2S,5R)-5-bromo-2,6,6-trimethyl-tetrahydropyran-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-hydroxy-ethyl]-2-[(3R)-3-methoxy-4-methyl-pent-4-enyl]-2-methyl-tetrahydrofuran-3-yl] acetate [(2S,3R,5R)-5-[(1R)-1-[(2R,4aS,6S,8aR)-2-[(2S,5R)-5-bromanyl-2,6,6-trimethyl-oxan-2-yl]-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-oxidanyl-ethyl]-2-[(3R)-3-methoxy-4-methyl-pent-4-enyl]-2-methyl-oxolan-3-yl] ethanoate
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Formula C33H55BrO8
InChI InChI=1S/C33H55BrO8/c1-20(2)22(37-10)13-16-31(7)27(38-21(3)35)19-28(41-31)33(9,36)26-12-11-24-30(6,40-26)18-15-25(39-24)32(8)17-14-23(34)29(4,5)42-32/h22-28,36H,1,11-19H2,2-10H3/t22-,23-,24-,25-,26+,27-,28-,30+,31+,32+,33-/m1/s1
InChIKey YIWMHMYTVLLVPO-NTMKTKEZSA-N
Molecular Weight 659.699 g/mol
SMILES O[C@@]([C@@]1(O[C@](CC[C@](C(=C)C)(OC)[H])(C)[C@@](C1)(OC(=O)C)[H])[H])([C@]1(O[C@@]2([C@@](O[C@@]([C@]3(OC(C)(C)[C@@](CC3)(Br)[H])C)(CC2)[H])([H])CC1)C)[H])C
SPLASH splash10-00xr-0922000000-332893620919c1f18f09
Source of Spectrum U1-2009-5334-3
Wiley ID 1697206