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9,10-Anthracenediol, 1,4,4a,5,8,8a,9,9a,10,10a-decahydro-2,3,6,7-tetramethyl-, bis(4-methylbenzenesulfonate), (4a.alpha.,8a.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-
SpectraBase Compound ID 7jAtVsPgcIK
InChI InChI=1S/C32H40O6S2/c1-19-7-11-25(12-8-19)39(33,34)37-31-27-15-21(3)23(5)17-29(27)32(30-18-24(6)22(4)16-28(30)31)38-40(35,36)26-13-9-20(2)10-14-26/h7-14,27-32H,15-18H2,1-6H3/t27-,28+,29-,30+,31+,32+
InChIKey QAPHSGHLCXJKBM-MQWJUUHWSA-N
Mol Weight 584.8 g/mol
Molecular Formula C32H40O6S2
Exact Mass 584.226631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EB5AZQrONrW
Name 9,10-Anthracenediol, 1,4,4a,5,8,8a,9,9a,10,10a-decahydro-2,3,6,7-tetramethyl-, bis(4-methylbenzenesulfonate), (4a.alpha.,8a.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-
CAS Registry Number 125536-91-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40O6S2
InChI InChI=1S/C32H40O6S2/c1-19-7-11-25(12-8-19)39(33,34)37-31-27-15-21(3)23(5)17-29(27)32(30-18-24(6)22(4)16-28(30)31)38-40(35,36)26-13-9-20(2)10-14-26/h7-14,27-32H,15-18H2,1-6H3/t27-,28+,29-,30+,31+,32+
InChIKey QAPHSGHLCXJKBM-MQWJUUHWSA-N
Molecular Weight 584.786 g/mol
SMILES [C@]1(OS(c2ccc(cc2)C)(=O)=O)([C@]2([C@](CC(=C(C2)C)C)([H])[C@]([C@@]2([C@@]1(CC(=C(C)C2)C)[H])[H])(OS(c1ccc(cc1)C)(=O)=O)[H])[H])[H]
SPLASH splash10-0006-9000000000-8215f5ea81daf3904544
Source of Spectrum B-42-523-18
Synonyms (4aR,8aS,9aR,10aS)-2,3,6,7-tetramethyl-10-{[(4-methylphenyl)sulfonyl]oxy}-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9-anthracenyl 4-methylbenzenesulfonate 2,3,6,7-Tetramethyl-9,10-bis(4-methylphenylsulfonyloxy)-1,4,4.alpha.,5,8,8a.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.-decahydroanthracene
Wiley ID 1408848