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(4'a.alpha.,5'.alpha.,8'.alpha.,8'a.beta.)-octahydro-4'a,8'-dimethylspiro[1,3-dioxolane-2,2'(1'H)-naphthalene]-5',8'-diol 5'-(4-methyl-benzenesulfonate)
SpectraBase Compound ID EdOS1dnThja
InChI InChI=1S/C21H30O6S/c1-15-4-6-16(7-5-15)28(23,24)27-18-8-9-20(3,22)17-14-21(25-12-13-26-21)11-10-19(17,18)2/h4-7,17-18,22H,8-14H2,1-3H3/t17-,18-,19-,20+/m1/s1
InChIKey YAALAYAREZHJKD-WTGUMLROSA-N
Mol Weight 410.53 g/mol
Molecular Formula C21H30O6S
Exact Mass 410.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cv6xsI6bBba
Name (4'a.alpha.,5'.alpha.,8'.alpha.,8'a.beta.)-octahydro-4'a,8'-dimethylspiro[1,3-dioxolane-2,2'(1'H)-naphthalene]-5',8'-diol 5'-(4-methyl-benzenesulfonate)
CAS Registry Number 124095-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O6S
InChI InChI=1S/C21H30O6S/c1-15-4-6-16(7-5-15)28(23,24)27-18-8-9-20(3,22)17-14-21(25-12-13-26-21)11-10-19(17,18)2/h4-7,17-18,22H,8-14H2,1-3H3/t17-,18-,19-,20+/m1/s1
InChIKey YAALAYAREZHJKD-WTGUMLROSA-N
Molecular Weight 410.525 g/mol
SMILES O[C@]1(CC[C@]([C@]2([C@]1(CC1(CC2)OCCO1)[H])C)(OS(c1ccc(cc1)C)(=O)=O)[H])C
SPLASH splash10-006w-9421000000-81dba049a2953cabfb47
Source of Spectrum J-55-944-3
Synonyms (4'aR,5'R,8'S,8'aR)-8'-hydroxy-4'a,8'-dimethyl-octahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalene]-5'-yl 4-methylbenzene-1-sulfonate
Wiley ID 1373577