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Elisabatin A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Elisabatin A
SpectraBase Compound ID 8uqLF0inRnt
InChI InChI=1S/C20H22O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6,8,10,13,21H,7H2,1-5H3/t10-,13+/m0/s1
InChIKey JVQJPMIBFYBOEO-GXFFZTMASA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KUVch4ZzXv
Name Elisabatin A
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O3
InChI InChI=1S/C20H22O3/c1-9(2)6-13-7-10(3)15-14(21)8-11(4)16-18(15)17(13)12(5)19(22)20(16)23/h6,8,10,13,21H,7H2,1-5H3/t10-,13+/m0/s1
InChIKey JVQJPMIBFYBOEO-GXFFZTMASA-N
Molecular Weight 310.393 g/mol
SMILES Oc1c2c3C(=C(C(=O)C(c3c(C)c1)=O)C)[C@](C=C(C)C)(C[C@@]2(C)[H])[H]
SPLASH splash10-017r-1390000000-b7956d2ee5f3164d17e5
Source of Spectrum G4-62-999-1
Synonyms (4S,6S)-7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6-dihydro-4H-phenalene-1,2-dione (4S,6S)-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-7-oxidanyl-5,6-dihydro-4H-phenalene-1,2-dione
Wiley ID 1607876