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2-[(E,1R,2R,3R,4S,7R)-2,4-dihydroxy-7-[6-[(1S,2S)-2-hydroxy-1-methyl-butyl]-3,5-dimethyl-4-oxo-pyran-2-yl]-1,3,5-trimethyl-oct-5-enyl]-6-ethyl-3,5-dimethyl-pyran-4-one

View entire compound with spectra: 1 MS (GC)

2-[(E,1R,2R,3R,4S,7R)-2,4-dihydroxy-7-[6-[(1S,2S)-2-hydroxy-1-methyl-butyl]-3,5-dimethyl-4-oxo-pyran-2-yl]-1,3,5-trimethyl-oct-5-enyl]-6-ethyl-3,5-dimethyl-pyran-4-one
SpectraBase Compound ID 6Mw7BnlhVvx
InChI InChI=1S/C32H48O7/c1-12-24(33)17(5)31-23(11)29(37)20(8)30(39-31)16(4)14-15(3)26(34)19(7)28(36)22(10)32-21(9)27(35)18(6)25(13-2)38-32/h14,16-17,19,22,24,26,28,33-34,36H,12-13H2,1-11H3/b15-14+/t16-,17+,19+,22-,24+,26-,28-/m1/s1
InChIKey HLJUWPYOKLNZAF-KJGAPIPWSA-N
Mol Weight 544.7 g/mol
Molecular Formula C32H48O7
Exact Mass 544.340004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRcclvumtMs
Name 2-[(E,1R,2R,3R,4S,7R)-2,4-dihydroxy-7-[6-[(1S,2S)-2-hydroxy-1-methyl-butyl]-3,5-dimethyl-4-oxo-pyran-2-yl]-1,3,5-trimethyl-oct-5-enyl]-6-ethyl-3,5-dimethyl-pyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H48O7
InChI InChI=1S/C32H48O7/c1-12-24(33)17(5)31-23(11)29(37)20(8)30(39-31)16(4)14-15(3)26(34)19(7)28(36)22(10)32-21(9)27(35)18(6)25(13-2)38-32/h14,16-17,19,22,24,26,28,33-34,36H,12-13H2,1-11H3/b15-14+/t16-,17+,19+,22-,24+,26-,28-/m1/s1
InChIKey HLJUWPYOKLNZAF-KJGAPIPWSA-N
Molecular Weight 544.729 g/mol
SMILES O[C@]([C@@](C1=C(C(C(=C([C@@](\C=C\([C@]([C@@]([C@]([C@](C2=C(C(=O)C(=C(O2)CC)C)C)(C)[H])(O)[H])(C)[H])(O)[H])C)(C)[H])O1)C)=O)C)(C)[H])(CC)[H]
SPLASH splash10-001i-0912000000-47f091e2e6c12df55e20
Source of Spectrum AT-33-1092-5
Synonyms 2-[(E,1R,2R,3R,4S,7R)-2,4-dihydroxy-7-[6-[(1S,2S)-2-hydroxy-1-methyl-butyl]-4-keto-3,5-dimethyl-pyran-2-yl]-1,3,5-trimethyl-oct-5-enyl]-6-ethyl-3,5-dimethyl-pyran-4-one 2-[(E,2R,3R,4R,5S,8R)-3,5-dihydroxy-8-[6-[(2S,3S)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxo-2-pyranyl]-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethyl-4-pyranone 2-[(E,2R,3R,4R,5S,8R)-3,5-dihydroxy-8-[6-[(2S,3S)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl]-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one 2-[(E,2R,3R,4R,5S,8R)-8-[3,5-dimethyl-4-oxidanylidene-6-[(2S,3S)-3-oxidanylpentan-2-yl]pyran-2-yl]-4,6-dimethyl-3,5-bis(oxidanyl)non-6-en-2-yl]-6-ethyl-3,5-dimethyl-pyran-4-one
Wiley ID 836192