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(3aR*,8R*,8aR*,9R*,12aR*)-9-Acetoxy-2,3a,6,7,8,8a,9,10,12a,13-decahydro-1,5,8a,12-tetramethyl-2-oxobenzo[4,5]cyclodeca[1,2-b]furan-8-yl propanoate

View entire compound with spectra: 1 MS (GC)

(3aR*,8R*,8aR*,9R*,12aR*)-9-Acetoxy-2,3a,6,7,8,8a,9,10,12a,13-decahydro-1,5,8a,12-tetramethyl-2-oxobenzo[4,5]cyclodeca[1,2-b]furan-8-yl propanoate
SpectraBase Compound ID De5kBqZFkCR
InChI InChI=1S/C25H34O6/c1-7-23(27)31-22-10-8-14(2)12-20-18(16(4)24(28)30-20)13-19-15(3)9-11-21(25(19,22)6)29-17(5)26/h9,12,19-22H,7-8,10-11,13H2,1-6H3/b14-12-/t19-,20-,21+,22?,25-/m1/s1
InChIKey NAKVJBOANQPPSJ-RVSBBXHCSA-N
Mol Weight 430.5 g/mol
Molecular Formula C25H34O6
Exact Mass 430.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJcyw0uIrXq
Name (3aR*,8R*,8aR*,9R*,12aR*)-9-Acetoxy-2,3a,6,7,8,8a,9,10,12a,13-decahydro-1,5,8a,12-tetramethyl-2-oxobenzo[4,5]cyclodeca[1,2-b]furan-8-yl propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O6
InChI InChI=1S/C25H34O6/c1-7-23(27)31-22-10-8-14(2)12-20-18(16(4)24(28)30-20)13-19-15(3)9-11-21(25(19,22)6)29-17(5)26/h9,12,19-22H,7-8,10-11,13H2,1-6H3/b14-12-/t19-,20-,21+,22?,25-/m1/s1
InChIKey NAKVJBOANQPPSJ-RVSBBXHCSA-N
Molecular Weight 430.541 g/mol
SMILES [C@@]12([C@](CC3=C(C(=O)O[C@]3([H])\C=C/(CCC1OC(=O)CC)C)C)(C(C)=CC[C@@]2(OC(=O)C)[H])[H])C
SPLASH splash10-0aou-9630000000-cee4d4fe7fc9b78eacab
Source of Spectrum H-78-1474-1
Synonyms (3aR,8R,8aR,9R,12aR)-9-(acetyloxy)-1,5,8a,12-tetramethyl-2-oxo-2,3a,6,7,8,8a,9,10,12a,13-decahydrobenzo[4,5]cyclodeca[1,2-b]furan-8-yl propionate
Wiley ID 1381618