[(1S,2R,4aR,9aR)-1,7-bis(oxidanyl)-2-(phenylcarbonyloxy)-1,2,9,9a-tetrahydroxanthen-4a-yl]methyl benzoate

SpectraBase Compound ID	IAAV0K3jDay
InChI	InChI=1S/C28H24O7/c29-21-11-12-23-20(15-21)16-22-25(30)24(34-27(32)19-9-5-2-6-10-19)13-14-28(22,35-23)17-33-26(31)18-7-3-1-4-8-18/h1-15,22,24-25,29-30H,16-17H2/t22-,24-,25+,28+/m1/s1
InChIKey	HWPZTWAKYXOVBI-HTFRYZPTSA-N Google Search
Mol Weight	472.49 g/mol
Molecular Formula	C28H24O7
Exact Mass	472.152203 g/mol

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SpectraBase Spectrum ID	98oCiip0wOB
Name	[(1S,2R,4aR,9aR)-1,7-bis(oxidanyl)-2-(phenylcarbonyloxy)-1,2,9,9a-tetrahydroxanthen-4a-yl]methyl benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H24O7
InChI	InChI=1S/C28H24O7/c29-21-11-12-23-20(15-21)16-22-25(30)24(34-27(32)19-9-5-2-6-10-19)13-14-28(22,35-23)17-33-26(31)18-7-3-1-4-8-18/h1-15,22,24-25,29-30H,16-17H2/t22-,24-,25+,28+/m1/s1
InChIKey	HWPZTWAKYXOVBI-HTFRYZPTSA-N
Molecular Weight	472.493 g/mol
SMILES	Oc1cc2c(O[C@]3([C@@]([C@@]([C@@](C=C3)(OC(=O)c3ccccc3)[H])(O)[H])(C2)[H])COC(=O)c2ccccc2)cc1
SPLASH	splash10-0a6r-1930100000-3088ccb6c7ec8ea39c67
Source of Spectrum	G4-61-449-5
Synonyms	[(1S,2R,4aR,9aR)-2-benzoyloxy-1,7-dihydroxy-1,2,9,9a-tetrahydroxanthen-4a-yl]methyl benzoate
Wiley ID	1607167