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(2S,3R)2,3:6,7-Dianhydro-1,4,5-trideoxy-1-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-2-oxo-2H-chromen-3-yl]-3,7,7-trimethyl-D-erythro-heptitol

View entire compound with spectra: 1 MS (GC)

(2S,3R)2,3:6,7-Dianhydro-1,4,5-trideoxy-1-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-2-oxo-2H-chromen-3-yl]-3,7,7-trimethyl-D-erythro-heptitol
SpectraBase Compound ID 78tQa2Gryi2
InChI InChI=1S/C24H30O5/c1-7-22(2,3)16-11-14-10-15(21(26)27-18(14)13-17(16)25)12-20-24(6,29-20)9-8-19-23(4,5)28-19/h7,10-11,13,19-20,25H,1,8-9,12H2,2-6H3/t19?,20-,24+/m0/s1
InChIKey DDOICZMDSYQKEF-YGJWIAMLSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bk5AlCV0Dn
Name (2S,3R)2,3:6,7-Dianhydro-1,4,5-trideoxy-1-[7-hydroxy-6-(2-methylbut-3-en-2-yl)-2-oxo-2H-chromen-3-yl]-3,7,7-trimethyl-D-erythro-heptitol
Alternate Name(s) Clauslactone U 3-(((2S,3R)-3-(2-(3,3-dimethyloxiran-2-yl)ethyl)-3-methyloxiran-2-yl)methyl)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-7-22(2,3)16-11-14-10-15(21(26)27-18(14)13-17(16)25)12-20-24(6,29-20)9-8-19-23(4,5)28-19/h7,10-11,13,19-20,25H,1,8-9,12H2,2-6H3/t19?,20-,24+/m0/s1
InChIKey DDOICZMDSYQKEF-YGJWIAMLSA-N
Literature Reference DOI 10.1002/hlca.200900337
Molecular Weight 398.499 g/mol
SMILES Oc1c(cc2c(c1)OC(C(=C2)C[C@]1([C@@](CCC2OC2(C)C)(O1)C)[H])=O)C(C)(C)C=C
SPLASH splash10-0006-1901000000-f47b3d150c9144397e13
Source of Spectrum H-93-989-1
Wiley ID 1785828