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Methyl (4R*,4aR*,5S*,7aS*,8aS*,8bR*)-4,5-Bis(acetyloxy)-5-[(acetyloxy)methyl]-4a,5,6,7,7a,8,8a,8b-octahydro-8,8-dimethyl-4H-cyclopropa[3,4]cyclohepta[1,2-c]pyran-1-carboxylate
SpectraBase Compound ID ASamRDskHHa
InChI InChI=1S/C22H30O9/c1-11(23)29-10-22(31-13(3)25)8-7-15-17(21(15,4)5)16-14(19(26)27-6)9-28-20(18(16)22)30-12(2)24/h9,15-18,20H,7-8,10H2,1-6H3/t15-,16+,17-,18-,20+,22+/m0/s1
InChIKey YGOZDGLVNDTREI-IGYJEYDGSA-N
Mol Weight 438.47 g/mol
Molecular Formula C22H30O9
Exact Mass 438.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWXbuYl5LBo
Name Methyl (4R*,4aR*,5S*,7aS*,8aS*,8bR*)-4,5-Bis(acetyloxy)-5-[(acetyloxy)methyl]-4a,5,6,7,7a,8,8a,8b-octahydro-8,8-dimethyl-4H-cyclopropa[3,4]cyclohepta[1,2-c]pyran-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O9
InChI InChI=1S/C22H30O9/c1-11(23)29-10-22(31-13(3)25)8-7-15-17(21(15,4)5)16-14(19(26)27-6)9-28-20(18(16)22)30-12(2)24/h9,15-18,20H,7-8,10H2,1-6H3/t15-,16+,17-,18-,20+,22+/m0/s1
InChIKey YGOZDGLVNDTREI-IGYJEYDGSA-N
Literature Reference DOI 10.1002/cbdv.200900256
Molecular Weight 438.473 g/mol
SMILES CC1(C)[C@@]2([C@]3(C(=CO[C@@]([C@]3([C@@](CC[C@]12[H])(COC(C)=O)OC(=O)C)[H])(OC(C)=O)[H])C(OC)=O)[H])[H]
SPLASH splash10-000l-5902000000-539a6e3056f1bf01fe19
Source of Spectrum CBD-7-1859-1
Synonyms (4R,4aR,5S,7aS,8aS,8bR)-5-(acetoxymethyl)-1-(methoxycarbonyl)-8,8-dimethyl-4a,5,6,7,7a,8,8a,8b-octahydro-4H-cyclopropa[3,4]cyclohepta[1,2-c]pyran-4,5-diyl diacetate
Wiley ID 1786472