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(3.beta.,8a.alpha)-1,2,3,5,6,7,8,8a-Octahydro-3.alpha.-(benzoyloxy)-8a.beta.-carbomethoxy-7,7-ethylenedioxynaphthalene
SpectraBase Compound ID 8b7VZM99T3y
InChI InChI=1S/C21H24O6/c1-24-19(23)20-9-8-17(27-18(22)15-5-3-2-4-6-15)13-16(20)7-10-21(14-20)25-11-12-26-21/h2-6,13,17H,7-12,14H2,1H3/t17-,20+/m0/s1
InChIKey KWWCBXNOLHDOOZ-FXAWDEMLSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMtz4llvp6a
Name (3.beta.,8a.alpha)-1,2,3,5,6,7,8,8a-Octahydro-3.alpha.-(benzoyloxy)-8a.beta.-carbomethoxy-7,7-ethylenedioxynaphthalene
CAS Registry Number 96792-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-24-19(23)20-9-8-17(27-18(22)15-5-3-2-4-6-15)13-16(20)7-10-21(14-20)25-11-12-26-21/h2-6,13,17H,7-12,14H2,1H3/t17-,20+/m0/s1
InChIKey KWWCBXNOLHDOOZ-FXAWDEMLSA-N
Molecular Weight 372.417 g/mol
SMILES [C@@]12(C(=C[C@@](OC(=O)c3ccccc3)(CC1)[H])CCC1(C2)OCCO1)C(=O)OC
SPLASH splash10-0adi-2910000000-820fb1b1e24b09551285
Source of Spectrum J-50-2987-25
Synonyms Methyl (6'S,8'aR)-6'-(benzoyloxy)-3',4',6',7',8',8'a-hexahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalene]-8'a-carboxylate
Wiley ID 1355474