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Azuleno[4,5-b]furan-5-carboxylic acid, 4,5,6,6a,7,8-hexahydro-3,6,9-trimethyl-4,8-dioxo-, methyl ester, (5.alpha.,6.alpha.,6a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

Azuleno[4,5-b]furan-5-carboxylic acid, 4,5,6,6a,7,8-hexahydro-3,6,9-trimethyl-4,8-dioxo-, methyl ester, (5.alpha.,6.alpha.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID 1XjJnNj6L15
InChI InChI=1S/C17H18O5/c1-7-6-22-16-12(7)15(19)14(17(20)21-4)8(2)10-5-11(18)9(3)13(10)16/h6,8,10,14H,5H2,1-4H3/t8-,10-,14-/m0/s1
InChIKey ZQJMRDKWQZKTBE-BXGCZWRVSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARbVz1pIJE8
Name Azuleno[4,5-b]furan-5-carboxylic acid, 4,5,6,6a,7,8-hexahydro-3,6,9-trimethyl-4,8-dioxo-, methyl ester, (5.alpha.,6.alpha.,6a.alpha.)-(.+-.)-
CAS Registry Number 112359-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-7-6-22-16-12(7)15(19)14(17(20)21-4)8(2)10-5-11(18)9(3)13(10)16/h6,8,10,14H,5H2,1-4H3/t8-,10-,14-/m0/s1
InChIKey ZQJMRDKWQZKTBE-BXGCZWRVSA-N
Molecular Weight 302.326 g/mol
SMILES c12C=3[C@]([C@](C)([C@@](C(c2c(C)co1)=O)(C(=O)OC)[H])[H])(CC(C3C)=O)[H]
SPLASH splash10-0006-0290000000-b7617f624dd692aacb9f
Source of Spectrum KC-1990-1609-49
Synonyms Methyl (5S,6S,6aS)-3,6,9-trimethyl-4,8-dioxo-4,5,6,6a,7,8-hexahydroazuleno[4,5-b]furan-5-carboxylate Methyl 3,6,9-trimethyl-4,8-dioxo-4,5,6,6a,7,8-hexahydroazuleno[4,5-b]furan-5-carboxylate
Wiley ID 1304664