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Ethyl (3a.alpha.,4.beta.,5a.beta.,9.alpha.,9a.alpha.,9b.alpha.)-1,2,3,3a,4,5,6,9,9a,9b-decahydro-4-hydroxy-8,9a-dimethyl-2,6-dioxo-1H-benz[e]inden-9-acetate - 2-(Ethylene acetal)-Derivative

View entire compound with spectra: 1 MS (GC)

Ethyl (3a.alpha.,4.beta.,5a.beta.,9.alpha.,9a.alpha.,9b.alpha.)-1,2,3,3a,4,5,6,9,9a,9b-decahydro-4-hydroxy-8,9a-dimethyl-2,6-dioxo-1H-benz[e]inden-9-acetate - 2-(Ethylene acetal)-Derivative
SpectraBase Compound ID 3bSM2HQdog2
InChI InChI=1S/C21H30O6/c1-4-25-19(24)9-14-12(2)7-18(23)15-8-17(22)13-10-21(26-5-6-27-21)11-16(13)20(14,15)3/h7,13-17,22H,4-6,8-11H2,1-3H3/t13-,14+,15-,16+,17+,20-/m0/s1
InChIKey VNBXORJHNXZJTA-RBGCFLLDSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrG1P3Xhrto
Name Ethyl (3a.alpha.,4.beta.,5a.beta.,9.alpha.,9a.alpha.,9b.alpha.)-1,2,3,3a,4,5,6,9,9a,9b-decahydro-4-hydroxy-8,9a-dimethyl-2,6-dioxo-1H-benz[e]inden-9-acetate - 2-(Ethylene acetal)-Derivative
Alternate Name(s) Ethyl 2-((3aS,4R,5aR,9R,9aS,9bR)-4-hydroxy-8,9a-dimethyl-6-oxo-1,3,3a,4,5,5a,6,9,9a,9b-decahydrospiro[cyclopenta[a]naphthalene-2,2'-[1,3]dioxolan]-9-yl)acetate 2-[(3aS,4R,5aR,9R,9aS,9bR)-4-hydroxy-8,9a-dimethyl-6-oxo-9-spiro[1,3,3a,4,5,5a,9,9b-octahydrocyclopenta[a]naphthalene-2,2'-1,3-dioxolane]yl]acetic acid ethyl ester Ethyl 2-[(3aS,4R,5aR,9R,9aS,9bR)-4-hydroxy-8,9a-dimethyl-6-oxospiro[1,3,3a,4,5,5a,9,9b-octahydrocyclopenta[a]naphthalene-2,2'-1,3-dioxolane]-9-yl]acetate Ethyl 2-[(3aS,4R,5aR,9R,9aS,9bR)-4-hydroxy-8,9a-dimethyl-6-oxo-spiro[1,3,3a,4,5,5a,9,9b-octahydrocyclopenta[a]naphthalene-2,2'-1,3-dioxolane]-9-yl]acetate Ethyl 2-[(3aS,4R,5aR,9R,9aS,9bR)-8,9a-dimethyl-4-oxidanyl-6-oxidanylidene-spiro[1,3,3a,4,5,5a,9,9b-octahydrocyclopenta[a]naphthalene-2,2'-1,3-dioxolane]-9-yl]ethanoate
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Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-4-25-19(24)9-14-12(2)7-18(23)15-8-17(22)13-10-21(26-5-6-27-21)11-16(13)20(14,15)3/h7,13-17,22H,4-6,8-11H2,1-3H3/t13-,14+,15-,16+,17+,20-/m0/s1
InChIKey VNBXORJHNXZJTA-RBGCFLLDSA-N
Molecular Weight 378.465 g/mol
SMILES O[C@@]1(C[C@@]2([C@]([C@@](C(=CC2=O)C)(CC(=O)OCC)[H])([C@]2([C@@]1(CC1(C2)OCCO1)[H])[H])C)[H])[H]
SPLASH splash10-002s-9711000000-34308bf9a8dc8966bc75
Source of Spectrum F5-3-3583-33
Wiley ID 1732540