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

SpectraBase Compound ID	IvbJaplEhGT
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+/m1/s1
InChIKey	YJGVMLPVUAXIQN-YFMMTPMMSA-N Google Search
Mol Weight	414.41 g/mol
Molecular Formula	C22H22O8
Exact Mass	414.131468 g/mol

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SpectraBase Spectrum ID	JVLLTq7teAN
Name	(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one
CAS Registry Number	55568-80-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H22O8
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+/m1/s1
InChIKey	YJGVMLPVUAXIQN-YFMMTPMMSA-N
Molecular Weight	414.410 g/mol
SMILES	O[C@]1(c2c(cc3c(c2)OCO3)[C@]([C@@]2([C@]1(COC2=O)[H])[H])(c1cc(OC)c(c(c1)OC)OC)[H])[H]
SPLASH	splash10-0irr-0900500000-74f98e04994e15881a81
Source of Spectrum	J-40-2386-0
Synonyms	(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one (5R,5aS,8aR,9R)-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Wiley ID	1375332