(3aR,4S,9aR)-4-(3,5-dimethoxy-4-oxidanyl-phenyl)-7-oxidanyl-6-propan-2-yloxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one

SpectraBase Compound ID	6OIQh1uaC90
InChI	InChI=1S/C23H26O7/c1-11(2)30-17-9-15-12(6-16(17)24)5-14-10-29-23(26)21(14)20(15)13-7-18(27-3)22(25)19(8-13)28-4/h6-9,11,14,20-21,24-25H,5,10H2,1-4H3/t14-,20-,21-/m0/s1
InChIKey	DMLPJVCOYFGUIB-WVFSVQOHSA-N Google Search
Mol Weight	414.45 g/mol
Molecular Formula	C23H26O7
Exact Mass	414.167853 g/mol

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SpectraBase Spectrum ID	5IrF0e2NrU
Name	(3aR,4S,9aR)-4-(3,5-dimethoxy-4-oxidanyl-phenyl)-7-oxidanyl-6-propan-2-yloxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H26O7
InChI	InChI=1S/C23H26O7/c1-11(2)30-17-9-15-12(6-16(17)24)5-14-10-29-23(26)21(14)20(15)13-7-18(27-3)22(25)19(8-13)28-4/h6-9,11,14,20-21,24-25H,5,10H2,1-4H3/t14-,20-,21-/m0/s1
InChIKey	DMLPJVCOYFGUIB-WVFSVQOHSA-N
Molecular Weight	414.454 g/mol
SMILES	Oc1c(cc([C@]2(c3cc(c(cc3C[C@]3(COC([C@]23[H])=O)[H])O)OC(C)C)[H])cc1OC)OC
SPLASH	splash10-0h90-0507900000-a9cc002a323b691f679d
Source of Spectrum	H1-50-765-9
Synonyms	(3aR,4S,9aR)-7-hydroxy-4-(4-hydroxy-3,5-dimethoxy-phenyl)-6-isopropoxy-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one (3aR,4S,9aR)-7-hydroxy-4-(4-hydroxy-3,5-dimethoxy-phenyl)-6-isopropoxy-3a,4,9,9a-tetrahydro-1H-benz[f]isobenzofuran-3-one (3aR,4S,9aR)-7-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-propan-2-yloxy-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-3-one (3aR,4S,9aR)-7-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-propan-2-yloxy-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
Wiley ID	816886