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(3S,3ar,4S,6S,6as,9ar,9br)-3,6,9-Trimethyl-2,7-dioxo-2,3,3A,4,5,6,6A,7,9A,9B-decahydroazuleno[4,5-B]furan-4-yl angeloate

View entire compound with spectra: 1 NMR

(3S,3ar,4S,6S,6as,9ar,9br)-3,6,9-Trimethyl-2,7-dioxo-2,3,3A,4,5,6,6A,7,9A,9B-decahydroazuleno[4,5-B]furan-4-yl angeloate
SpectraBase Compound ID 3DbT0fHIAU1
InChI InChI=1S/C20H26O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6-7,11-12,14-18H,8H2,1-5H3/b9-6-/t11-,12-,14-,15+,16-,17+,18+/m0/s1
InChIKey WANVZANRAOPTSG-NEFJIQFISA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGmg2xhOmBP
Name (3S,3ar,4S,6S,6as,9ar,9br)-3,6,9-Trimethyl-2,7-dioxo-2,3,3A,4,5,6,6A,7,9A,9B-decahydroazuleno[4,5-B]furan-4-yl angeloate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.178023932 u
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-6-9(2)19(22)24-14-8-11(4)15-13(21)7-10(3)16(15)18-17(14)12(5)20(23)25-18/h6-7,11-12,14-18H,8H2,1-5H3/b9-6-/t11-,12-,14-,15+,16-,17+,18+/m0/s1
InChIKey WANVZANRAOPTSG-NEFJIQFISA-N
Molecular Weight 346.423 g/mol
SMILES [C@@]12([H])[C@]3([H])[C@@]([H])(C(=O)C=C3C)[C@@](C)(C[C@@]([C@@]1([H])[C@](C)(C(=O)O2)[H])(OC(\C(C)=C/C)=O)[H])[H]