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(5R,5aR,8aS,9R)-8a-deuterio-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5,5a,6,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxol-8-one

View entire compound with spectra: 1 MS (GC)

(5R,5aR,8aS,9R)-8a-deuterio-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5,5a,6,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxol-8-one
SpectraBase Compound ID 8KNCrhXJBAM
InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1/i19D
InChIKey YJGVMLPVUAXIQN-KWQHUZBVSA-N
Mol Weight 415.42 g/mol
Molecular Formula C22H212DO8
Exact Mass 415.137744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42nrc6A158T
Name (5R,5aR,8aS,9R)-8a-deuterio-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5,5a,6,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxol-8-one
Alternate Name(s) (5R,5aS,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one-5a-D
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21DO8
InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19+,20-/m0/s1/i19D
InChIKey YJGVMLPVUAXIQN-KWQHUZBVSA-N
Literature Reference DOI 10.1002/cjoc.19860040106
Molecular Weight 415.416 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@](c3c1cc1c(c3)OCO1)(c1cc(c(c(c1)OC)OC)OC)[H])(C(OC2)=O)[2D])[H])[H]
SPLASH splash10-03xs-0429200000-2763487d9a4af63b4918
Source of Spectrum SI-4-41-13
Wiley ID 1813341