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Cylindrol A2
SpectraBase Compound ID 8obNdXz26JJ
InChI InChI=1S/C27H38O6/c1-7-8-25(31)33-24(14-27(6)18(4)10-12-22(29)19(27)5)16(2)9-11-20-23(30)13-17(3)21(15-28)26(20)32/h9,13,15,18-19,24,30,32H,7-8,10-12,14H2,1-6H3/b16-9+/t18-,19+,24?,27+/m0/s1
InChIKey DBCUFKATVZDLLO-VZZDRXEXSA-N
Mol Weight 458.6 g/mol
Molecular Formula C27H38O6
Exact Mass 458.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rUu4DZp8C
Name Cylindrol A2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O6
InChI InChI=1S/C27H38O6/c1-7-8-25(31)33-24(14-27(6)18(4)10-12-22(29)19(27)5)16(2)9-11-20-23(30)13-17(3)21(15-28)26(20)32/h9,13,15,18-19,24,30,32H,7-8,10-12,14H2,1-6H3/b16-9+/t18-,19+,24?,27+/m0/s1
InChIKey DBCUFKATVZDLLO-VZZDRXEXSA-N
Molecular Weight 458.595 g/mol
SMILES Oc1c(c(c(c(c1)C)C=O)O)C\C=C\(C(C[C@]1([C@@](C(=O)CC[C@@]1(C)[H])(C)[H])C)OC(=O)CCC)C
SPLASH splash10-015j-3690000000-be53ff9077d9ba6826fa
Source of Spectrum J-61-7734-1
Synonyms (2E)-4-(3-formyl-2,6-dihydroxy-4-methylphenyl)-2-methyl-1-{[(1R,2S,6S)-1,2,6-trimethyl-3-oxocyclohexyl]methyl}-2-butenyl butyrate
Wiley ID 1389927