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(3aR*,9S*,9aR*)-9-(3,4-Dimethylenedioxyphenyl)-9-hydroxy-6,7-dimethoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
SpectraBase Compound ID 3hHHOI1ndoc
InChI InChI=1S/C21H20O7/c1-24-16-6-11-5-12-9-26-20(22)19(12)21(23,14(11)8-17(16)25-2)13-3-4-15-18(7-13)28-10-27-15/h3-4,6-8,12,19,23H,5,9-10H2,1-2H3/t12-,19-,21-/m0/s1
InChIKey HHQGDDFATPDMRL-DRAMBROLSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYjPVPvJR8U
Name (3aR*,9S*,9aR*)-9-(3,4-Dimethylenedioxyphenyl)-9-hydroxy-6,7-dimethoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-24-16-6-11-5-12-9-26-20(22)19(12)21(23,14(11)8-17(16)25-2)13-3-4-15-18(7-13)28-10-27-15/h3-4,6-8,12,19,23H,5,9-10H2,1-2H3/t12-,19-,21-/m0/s1
InChIKey HHQGDDFATPDMRL-DRAMBROLSA-N
Molecular Weight 384.384 g/mol
SMILES O[C@]1(c2c(cc(c(c2)OC)OC)C[C@@]2([C@]1(C(OC2)=O)[H])[H])c1cc2OCOc2cc1
SPLASH splash10-001i-0009000000-ef0bb233c5a306b9fb92
Source of Spectrum KC-0-3015-8
Synonyms (3aR*,9S*,9aR*)-9-(3,4-methylenedioxyphenyl)-9-hydroxy-6,7-dimethoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one (3aR,4S,9aR)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-1,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one (3aR,4S,9aR)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-1,3a,9,9a-tetrahydrobenzo[f]isobenzofuran-3-one (3aR,4S,9aR)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-oxidanyl-1,3a,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one
Wiley ID 784723