2,6-Dioxabicyclo[3.2.1]octane, 2H-pyran-2-one deriv.

SpectraBase Compound ID	Aau7qh2CGby
InChI	InChI=1S/C22H28O8/c1-13-14(28-16(23)12-15(13)27-5)10-8-6-7-9-11-20(2)17(24)21(3)18(25)22(4,30-20)19(26)29-21/h6-12,17-19,24-26H,1-5H3/b7-6+,10-8+,11-9+/t17-,18-,19+,20+,21+,22-/m1/s1
InChIKey	IQOXOOYMXWDCEG-WHWFPCEZSA-N Google Search
Mol Weight	420.46 g/mol
Molecular Formula	C22H28O8
Exact Mass	420.178418 g/mol

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SpectraBase Spectrum ID	Bds2cTQfVEl
Name	2,6-Dioxabicyclo[3.2.1]octane, 2H-pyran-2-one deriv.
Alternate Name(s)	2H-Pyran-2-one, 4-methoxy-5-methyl-6-[6-(4,7,8-trihydroxy-1,3,5-trimethyl-2,6-dioxabicyclo[3.2.1]oct-3-yl)-1,3,5-hexatrienyl]-, [1R-[1.alpha.,3.beta.(1E,3E,5E),4.beta.,5.alpha.,7.beta.,8R*]]- 2,6-anhydro-7-deoxy-6-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-1,3,5-hexatrienyl]-2,4-dimethyl-D-glycero-.alpha.-D-gulo-heptofuranose Citreoviridin A2 Citreoviridinol A2
CAS Registry Number	94122-10-8
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H28O8
InChI	InChI=1S/C22H28O8/c1-13-14(28-16(23)12-15(13)27-5)10-8-6-7-9-11-20(2)17(24)21(3)18(25)22(4,30-20)19(26)29-21/h6-12,17-19,24-26H,1-5H3/b7-6+,10-8+,11-9+/t17-,18-,19+,20+,21+,22-/m1/s1
InChIKey	IQOXOOYMXWDCEG-WHWFPCEZSA-N
Molecular Weight	420.458 g/mol
SMILES	O[C@@]1([C@]2([C@@]([C@@](O1)([C@@]([C@@](O2)(\C=C\C=C\C=C\C1=C(C(OC)=CC(O1)=O)C)C)(O)[H])C)(O)[H])C)[H]
SPLASH	splash10-029i-1950000000-a441b5a8916c6cc3b284
Source of Spectrum	O-19-349-2
Wiley ID	1377919