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exo-Benzyl rel(1R,2aS,8S)/rel(1R,2aR,8R)-1,8b-Dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

View entire compound with spectra: 1 MS (GC)

exo-Benzyl rel(1R,2aS,8S)/rel(1R,2aR,8R)-1,8b-Dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate
SpectraBase Compound ID 1VuHjus7MjH
InChI InChI=1S/C24H26O6/c1-14(2)17-12-24(22(25)29-13-15-8-6-5-7-9-15)21(17)20-18(28-4)10-16(27-3)11-19(20)30-23(24)26/h5-11,14,17,21H,12-13H2,1-4H3/t17?,21-,24-/m0/s1
InChIKey NSFHKCYYHANVOF-URNDOALLSA-N
Mol Weight 410.47 g/mol
Molecular Formula C24H26O6
Exact Mass 410.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdL2phI0ccC
Name exo-Benzyl rel(1R,2aS,8S)/rel(1R,2aR,8R)-1,8b-Dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O6
InChI InChI=1S/C24H26O6/c1-14(2)17-12-24(22(25)29-13-15-8-6-5-7-9-15)21(17)20-18(28-4)10-16(27-3)11-19(20)30-23(24)26/h5-11,14,17,21H,12-13H2,1-4H3/t17?,21-,24-/m0/s1
InChIKey NSFHKCYYHANVOF-URNDOALLSA-N
Molecular Weight 410.466 g/mol
SMILES [C@@]12(C(Oc3c([C@]2([H])C(C1)C(C)C)c(cc(OC)c3)OC)=O)C(OCc1ccccc1)=O
SPLASH splash10-0a5c-4091000000-bff5fbf34e4256458a85
Source of Spectrum O1-65-1105-5
Synonyms benzyl (2aS,8bS)-1-isopropyl-6,8-dimethoxy-3-oxo-1,8b-dihydro-2H-cyclobuta[c]chromene-2a(3H)-carboxylate
Wiley ID 1593083