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Artonin R
SpectraBase Compound ID 6R0FqCOoFd3
InChI InChI=1S/C31H30O10/c1-14(2)17-12-18-24(34)21-23(33)15-8-10-29(3,4)40-25(15)16(9-11-30(5,6)41-37)26(21)39-27(18)20-19(32)13-31(36,22(17)20)28(35)38-7/h8-12,33,36-37H,1,13H2,2-7H3/b11-9+
InChIKey DHSZUELPJXKISQ-PKNBQFBNSA-N
Mol Weight 562.57 g/mol
Molecular Formula C31H30O10
Exact Mass 562.183897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HggdBfMHegE
Name Artonin R
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30O10
InChI InChI=1S/C31H30O10/c1-14(2)17-12-18-24(34)21-23(33)15-8-10-29(3,4)40-25(15)16(9-11-30(5,6)41-37)26(21)39-27(18)20-19(32)13-31(36,22(17)20)28(35)38-7/h8-12,33,36-37H,1,13H2,2-7H3/b11-9+
InChIKey DHSZUELPJXKISQ-PKNBQFBNSA-N
Molecular Weight 562.571 g/mol
SMILES OOC(\C=C\c1c2c(c(c3c1Oc1c(C3=O)cc(c3C(CC(c13)=O)(C(=O)OC)O)C(=C)C)O)C=CC(O2)(C)C)(C)C
SPLASH splash10-002r-0000910000-f13881c17552dcf76804
Source of Spectrum H1-39-856-2
Synonyms Methyl 12-[(1E)-3-hydroperoxy-3-methyl-1-butenyl]-3,7-dihydroxy-4-isopropenyl-10,10-dimethyl-1,6-dioxo-1,2,3,6-tetrahydro-10H-cyclopenta[h]pyrano[3,2-b]xanthene-3-carboxylate
Wiley ID 756741