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(4a.alpha.,8a.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9,10-bis(mesyloxymethyl)anthracene

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(4a.alpha.,8a.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9,10-bis(mesyloxymethyl)anthracene
SpectraBase Compound ID 5GtuaJ4AC7P
InChI InChI=1S/C18H28O6S2/c1-25(19,20)23-11-17-13-7-3-5-9-15(13)18(12-24-26(2,21)22)16-10-6-4-8-14(16)17/h3-6,13-18H,7-12H2,1-2H3/t13-,14-,15-,16+,17+,18+/m1/s1
InChIKey ZBRNRYKIQYHJOR-ZXLDYLNASA-N
Mol Weight 404.54 g/mol
Molecular Formula C18H28O6S2
Exact Mass 404.132731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbixcFDWw41
Name (4a.alpha.,8a.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9,10-bis(mesyloxymethyl)anthracene
Alternate Name(s) ((4aR,8aR,9aS,10aR)-10-{[(methylsulfonyl)oxy]methyl}-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9-anthracenyl)methyl methanesulfonate
CAS Registry Number 135225-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O6S2
InChI InChI=1S/C18H28O6S2/c1-25(19,20)23-11-17-13-7-3-5-9-15(13)18(12-24-26(2,21)22)16-10-6-4-8-14(16)17/h3-6,13-18H,7-12H2,1-2H3/t13-,14-,15-,16+,17+,18+/m1/s1
InChIKey ZBRNRYKIQYHJOR-ZXLDYLNASA-N
Molecular Weight 404.536 g/mol
SMILES C(OS(=O)(=O)C)[C@]1([C@]2([C@](CC=CC2)([H])[C@@]([C@]2([C@@]1(CC=CC2)[H])[H])(COS(=O)(=O)C)[H])[H])[H]
SPLASH splash10-0bvl-8940000000-cef5e675d61408c0285d
Source of Spectrum K-124-2527-12
Wiley ID 1371104