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(E)-1-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyl-oct-2-en-4-one

View entire compound with spectra: 1 MS (GC)

(E)-1-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyl-oct-2-en-4-one
SpectraBase Compound ID ZWGIzssRzL
InChI InChI=1S/C21H36O6/c1-5-6-7-16(23)8-12(2)9-17-20(25)19(24)15(11-26-17)10-18-21(27-18)13(3)14(4)22/h8,13-15,17-22,24-25H,5-7,9-11H2,1-4H3/b12-8+/t13-,14-,15-,17-,18-,19+,20-,21-/m0/s1
InChIKey AJXWTFCXNYMYNC-IPQKHJCMSA-N
Mol Weight 384.5 g/mol
Molecular Formula C21H36O6
Exact Mass 384.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8SdW0xyNaQ
Name (E)-1-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyl-oct-2-en-4-one
CAS Registry Number 79959-70-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O6
InChI InChI=1S/C21H36O6/c1-5-6-7-16(23)8-12(2)9-17-20(25)19(24)15(11-26-17)10-18-21(27-18)13(3)14(4)22/h8,13-15,17-22,24-25H,5-7,9-11H2,1-4H3/b12-8+/t13-,14-,15-,17-,18-,19+,20-,21-/m0/s1
InChIKey AJXWTFCXNYMYNC-IPQKHJCMSA-N
Molecular Weight 384.513 g/mol
SMILES O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\C(=O)CCCC)C)[H])[H])[H])[H])(C)[H])(C)[H]
SPLASH splash10-0f9i-8590000000-adb5e2632096fc946223
Source of Spectrum KC-1982-733-0
Synonyms (E)-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-2-methyl-oct-2-en-4-one (E)-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-2-methyl-2-octen-4-one (E)-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-2-methyloct-2-en-4-one
Wiley ID 1361584