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acetic acid [(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-9-acetoxy-2-(3-furyl)-7-hydroxy-4-keto-10b-methyl-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1H-benzo[f]isochromen-10-yl] ester

View entire compound with spectra: 1 NMR

acetic acid [(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-9-acetoxy-2-(3-furyl)-7-hydroxy-4-keto-10b-methyl-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1H-benzo[f]isochromen-10-yl] ester
SpectraBase Compound ID 9DMutUuCnlo
InChI InChI=1S/C22H28O8/c1-11(23)28-17-8-16(25)14-4-5-15-21(26)30-18(13-6-7-27-10-13)9-22(15,3)19(14)20(17)29-12(2)24/h6-7,10,14-20,25H,4-5,8-9H2,1-3H3/t14-,15+,16-,17+,18+,19+,20+,22-/m1/s1
InChIKey NFJAOPHPUGNHOC-NUNTXWMUSA-N
Mol Weight 420.46 g/mol
Molecular Formula C22H28O8
Exact Mass 420.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lGOn72clA9
Name acetic acid [(2S,4aR,6aS,7R,9S,10R,10aR,10bS)-9-acetoxy-2-(3-furyl)-7-hydroxy-4-keto-10b-methyl-2,4a,5,6,6a,7,8,9,10,10a-decahydro-1H-benzo[f]isochromen-10-yl] ester
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O8
InChI InChI=1S/C22H28O8/c1-11(23)28-17-8-16(25)14-4-5-15-21(26)30-18(13-6-7-27-10-13)9-22(15,3)19(14)20(17)29-12(2)24/h6-7,10,14-20,25H,4-5,8-9H2,1-3H3/t14-,15+,16-,17+,18+,19+,20+,22-/m1/s1
InChIKey NFJAOPHPUGNHOC-NUNTXWMUSA-N
Literature Reference Author W.LI,K.WEI,H.FU,K.KOIKE
Literature Reference Citation J.NAT.PROD.,70,1971(2007)
Literature Reference DOI 10.1021/np070367i
Molecular Weight 420.460 g/mol
Sample ID 31221
Solvent CDCl3