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(1S,3R)-AUSTROCORTIRUBIN
SpectraBase Compound ID ECMn71cfrjf
InChI InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,18-19,21-22H,4-5H2,1-2H3/t8-,16+/m0/s1
InChIKey WWTHHBSODPGTAK-ZKANADHPSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tE2OMIdweZ
Name (5S,7R)-2-methoxy-7-methyl-5,7,9,10-tetrakis(oxidanyl)-6,8-dihydro-5H-anthracene-1,4-dione
Alternate Name(s) (5S,7R)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione (5S,7R)-5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-quinone Austrocortirubin
CAS Registry Number 97400-69-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O7
InChI InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,18-19,21-22H,4-5H2,1-2H3/t8-,16+/m0/s1
InChIKey WWTHHBSODPGTAK-ZKANADHPSA-N
Molecular Weight 320.297 g/mol
SMILES Oc1c2c(c(c3c1C(C(=CC3=O)OC)=O)O)[C@](C[C@@](C2)(O)C)(O)[H]
SPLASH splash10-0ul0-0096000000-f0a2c3989a59a958f424
Source of Spectrum KC-1990-1590-6
Wiley ID 1319921