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(2R,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

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(2R,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 JgMLVJjMkCv
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-UGCNJCKESA-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 FswJZtACCUN
Name (2R,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 © 2020-2024 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-UGCNJCKESA-N
Molecular Weight 320.473 g/mol
SMILES C1CCC(C)(C)[C@]2([H])CC[C@]3(C)[C@@]([C@@]12C)(C[C@@]1([C@](C)(CC(=O)O1)[H])O3)[H]
SPLASH splash10-066u-9805000000-2b977a1ea63994dee953
Source of Spectrum Y4-83-42-16
Synonyms (2R,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 (2R,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 1549912