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BRASIXANTHONE-C
SpectraBase Compound ID B1GD73odCrh
InChI InChI=1S/C23H22O7/c1-11(2)17(30-27)10-15-21-13(7-8-23(3,4)29-21)19(25)18-20(26)14-9-12(24)5-6-16(14)28-22(15)18/h5-9,17,24-25,27H,1,10H2,2-4H3
InChIKey JSZZQWZCXGLNKJ-UHFFFAOYSA-N
Mol Weight 410.42 g/mol
Molecular Formula C23H22O7
Exact Mass 410.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64hynZ2r8PK
Name 12-(2-hydroperoxy-3-methyl-but-3-enyl)-5,8-dihydroxy-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one
Alternate Name(s) 12-(2-hydroperoxy-3-methylbut-3-enyl)-5,8-dihydroxy-2,2-dimethyl-6-pyrano[3,2-b]xanthenone 12-[2-(dioxidanyl)-3-methyl-but-3-enyl]-2,2-dimethyl-5,8-bis(oxidanyl)pyrano[3,2-b]xanthen-6-one
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Formula C23H22O7
InChI InChI=1S/C23H22O7/c1-11(2)17(30-27)10-15-21-13(7-8-23(3,4)29-21)19(25)18-20(26)14-9-12(24)5-6-16(14)28-22(15)18/h5-9,17,24-25,27H,1,10H2,2-4H3
InChIKey JSZZQWZCXGLNKJ-UHFFFAOYSA-N
Molecular Weight 410.422 g/mol
SMILES OOC(Cc1c2c(c(c3c1Oc1c(C3=O)cc(cc1)O)O)C=CC(O2)(C)C)C(=C)C
SPLASH splash10-00di-0009000000-a70e122e9ba1620c8a1d
Source of Spectrum G4-65-271-5
Wiley ID 1639343