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ARTOCHAMIN_A;2,3,8-TRIHYDROXY-11,11-DIMETHYL-6-(2-METHYL-1-PROPENYL)-6H,7H,11H-BIS-[1]-BENZOPYRAN-[4,3-B:6',5'-E]-PYRAN-7-ONE

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ARTOCHAMIN_A;2,3,8-TRIHYDROXY-11,11-DIMETHYL-6-(2-METHYL-1-PROPENYL)-6H,7H,11H-BIS-[1]-BENZOPYRAN-[4,3-B:6',5'-E]-PYRAN-7-ONE
SpectraBase Compound ID ExltLSHns0J
InChI InChI=1S/C25H22O7/c1-11(2)7-19-21-22(29)20-16(28)10-18-12(5-6-25(3,4)32-18)23(20)31-24(21)13-8-14(26)15(27)9-17(13)30-19/h5-10,19,26-28H,1-4H3
InChIKey SUXAIEIHGDSOAY-UHFFFAOYSA-N
Mol Weight 434.44 g/mol
Molecular Formula C25H22O7
Exact Mass 434.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dy5OSWnJ7Ip
Name 2,3,8-trihydroxy-11,11-dimethyl-6-(2-methyl-1-propenyl)-6H,7H,11H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one
Alternate Name(s) Artochamin A
Appearance Orange prisms
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O7
InChI InChI=1S/C25H22O7/c1-11(2)7-19-21-22(29)20-16(28)10-18-12(5-6-25(3,4)32-18)23(20)31-24(21)13-8-14(26)15(27)9-17(13)30-19/h5-10,19,26-28H,1-4H3
InChIKey SUXAIEIHGDSOAY-UHFFFAOYSA-N
Instrument Name Agilent 5973N or HP 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np030467y
Molecular Weight 434.444 g/mol
Optical Rotation [a]D20 = 0 (c = 0.25, MeOH)
Reported Formula C25H22O7
SMILES Oc1cc2c(c3OC=4c5cc(c(cc5OC(C4C(c13)=O)C=C(C)C)O)O)C=CC(O2)(C)C
SPLASH splash10-014i-0004900000-aeb5659aa7ebf67bc875
Source of Spectrum G4-67-760-1
Wiley ID 1884010