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(2S,3aR,4'R,5aS,9aS,9bR)-3a,4',6,6,9a-pentamethyl-2'-spiro[1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2,5'-oxolane]one

View entire compound with spectra: 2 MS (GC)

(2S,3aR,4'R,5aS,9aS,9bR)-3a,4',6,6,9a-pentamethyl-2'-spiro[1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2,5'-oxolane]one
SpectraBase Compound ID OcTacX4g64
InChI InChI=1S/C20H32O3/c1-13-11-16(21)22-20(13)12-15-18(4)9-6-8-17(2,3)14(18)7-10-19(15,5)23-20/h13-15H,6-12H2,1-5H3/t13-,14+,15-,18+,19-,20-/m1/s1
InChIKey KAGCRWLNBYIZTL-HUGJHKJRSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cM5ReUNLUT
Name (2S,3aR,4'R,5aS,9aS,9bR)-3a,4',6,6,9a-pentamethyl-2'-spiro[1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2,5'-oxolane]one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-13-11-16(21)22-20(13)12-15-18(4)9-6-8-17(2,3)14(18)7-10-19(15,5)23-20/h13-15H,6-12H2,1-5H3/t13-,14+,15-,18+,19-,20-/m1/s1
InChIKey KAGCRWLNBYIZTL-HUGJHKJRSA-N
Molecular Weight 320.473 g/mol
SMILES [C@@]12(O[C@@]3(CC[C@@]4([C@@]([C@]3(C2)[H])(CCCC4(C)C)C)[H])C)OC(=O)C[C@]1(C)[H]
SPLASH splash10-066r-4904000000-a98ed6ae05344320d0b6
Source of Spectrum F-48-10396-11
Synonyms (2S,3aR,4'R,5aS,9aS,9bR)-3a,4',6,6,9a-pentamethylspiro[1,4,5,5a,7,8,9,9b-octahydrobenzo[e]benzofuran-2,5'-tetrahydrofuran]-2'-one (2S,3aR,4'R,5aS,9aS,9bR)-3a,4',6,6,9a-pentamethylspiro[1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2,5'-oxolane]-2'-one
Wiley ID 1320490