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3,6-Methanobenzofuran-6(2H)-carboxaldehyde, 7-(acetyloxy)-3,3a,7,7a-tetrahydro-2-oxo-8-phenyl-, [3R-(3.alpha.,3a.beta.,6.beta.,7.beta.,7a.beta.,8S*)]-
SpectraBase Compound ID 3tqyeNI5e0q
InChI InChI=1S/C18H16O5/c1-10(20)22-16-15-12-7-8-18(16,9-19)14(13(12)17(21)23-15)11-5-3-2-4-6-11/h2-9,12-16H,1H3/t12-,13+,14-,15-,16+,18+/m0/s1
InChIKey SNUGGYCPZIWGNA-LSFSDZQMSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I56WMnawU3z
Name 3,6-Methanobenzofuran-6(2H)-carboxaldehyde, 7-(acetyloxy)-3,3a,7,7a-tetrahydro-2-oxo-8-phenyl-, [3R-(3.alpha.,3a.beta.,6.beta.,7.beta.,7a.beta.,8S*)]-
Alternate Name(s) (-)-(1R,2R,5R,6R,7R,10S)-6-acetoxy-5-[(benzoyloxy)methyl]-9-oxo-10-phenyl-8-oxatricyclo[4.3.1.0(2,7)]dec-3-ene (1R,2S,3R,6R,7S,10S)-1-formyl-5-oxo-10-phenyl-4-oxatricyclo[4.3.1.0(3,7)]dec-8-en-2-yl acetate
CAS Registry Number 122594-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-10(20)22-16-15-12-7-8-18(16,9-19)14(13(12)17(21)23-15)11-5-3-2-4-6-11/h2-9,12-16H,1H3/t12-,13+,14-,15-,16+,18+/m0/s1
InChIKey SNUGGYCPZIWGNA-LSFSDZQMSA-N
Molecular Weight 312.321 g/mol
SMILES [C@@]12([C@@]([C@]3(OC([C@]([C@@]2(c2ccccc2)[H])([H])[C@@]3(C=C1)[H])=O)[H])(OC(=O)C)[H])C=O
SPLASH splash10-002b-0910000000-b5b635627a31ea657c80
Source of Spectrum J-54-4242-19
Wiley ID 1313339