Debug Info

object
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_id
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D9993HiBnJJ
spectrumID
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D9993HiBnJJ
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131072
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WMS3X:321029:1
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MS (GC)
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Mass Spectrum (GC)
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Spiro[7H-cyclohepta[b]furan-7,2'(5'H)-furan]-2,5'(4H)-dione, 3',4',5,6,8,8a-hexahydro-8-hydroxy-3,6,8-trimethyl-, (6.alpha.,7.beta.,8.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID ETyqq1kVrNZ
InChI InChI=1S/C15H20O5/c1-8-4-5-10-9(2)13(17)19-12(10)14(3,18)15(8)7-6-11(16)20-15/h8,12,18H,4-7H2,1-3H3/t8-,12+,14+,15-/m1/s1
InChIKey DZUAWALHIFTEAT-RIACMSHESA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9993HiBnJJ
Name Spiro[7H-cyclohepta[b]furan-7,2'(5'H)-furan]-2,5'(4H)-dione, 3',4',5,6,8,8a-hexahydro-8-hydroxy-3,6,8-trimethyl-, (6.alpha.,7.beta.,8.alpha.,8a.alpha.)-(.+-.)-
CAS Registry Number 116661-03-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-8-4-5-10-9(2)13(17)19-12(10)14(3,18)15(8)7-6-11(16)20-15/h8,12,18H,4-7H2,1-3H3/t8-,12+,14+,15-/m1/s1
InChIKey DZUAWALHIFTEAT-RIACMSHESA-N
Molecular Weight 280.320 g/mol
SMILES O[C@]1([C@@]2(C(=C(C)C(O2)=O)CC[C@]([C@@]11OC(=O)CC1)(C)[H])[H])C
SPLASH splash10-0400-4960000000-7629c3a3649b9ef79355
Source of Spectrum F-43-5297-1
Synonyms (1S,2R,3R,8aS)-1-hydroxy-1,3,6-trimethyl-1,3,4,5,7,8a-hexahydrospiro[cyclohepta[b]furan-2,2'-oxolane]-5',7-dione (6R*,7R*,8R*,8aS*)-3',4',5,6,8,8a-hexahydro-8-hydroxy-3,6,8-trimethylspiro[7H-cyclohepta[b]furan-7,2'(5H)-furan]-2,5'(4H)-dione rac- isocanambrin
Wiley ID 1283813
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