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1H-Cyclopenta[a]pentalene-3-carboxylic acid, decahydro-3,4,7a-trimethyl-1,5-dioxo-, methyl ester, [3R-(3.alpha.,3a.alpha.,3b.beta.,6a.beta.,7a.alpha.)]-
SpectraBase Compound ID XUqOM3EkrP
InChI InChI=1S/C16H22O4/c1-8-10(17)5-9-6-15(2)11(18)7-16(3,14(19)20-4)13(15)12(8)9/h8-9,12-13H,5-7H2,1-4H3/t8?,9-,12-,13+,15+,16+/m0/s1
InChIKey XCTAFOHAKYTMGU-ABGCIYPHSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5J5Sh2qCjQ3
Name 1H-Cyclopenta[a]pentalene-3-carboxylic acid, decahydro-3,4,7a-trimethyl-1,5-dioxo-, methyl ester, [3R-(3.alpha.,3a.alpha.,3b.beta.,6a.beta.,7a.alpha.)]-
CAS Registry Number 65563-88-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-8-10(17)5-9-6-15(2)11(18)7-16(3,14(19)20-4)13(15)12(8)9/h8-9,12-13H,5-7H2,1-4H3/t8?,9-,12-,13+,15+,16+/m0/s1
InChIKey XCTAFOHAKYTMGU-ABGCIYPHSA-N
Molecular Weight 278.348 g/mol
SMILES [C@]12([C@]([C@@](C(=O)OC)(C)CC2=O)([C@]2(C(C)C(C[C@]2(C1)[H])=O)[H])[H])C
SPLASH splash10-0hfy-9200000000-5fd0fe53006a1076e455
Source of Spectrum F-33-2117-0
Synonyms Methyl (3R,3aR,3bS,6aR,7aS)-3,4,7a-trimethyl-1,5-dioxodecahydro-1H-cyclopenta[a]pentalene-3-carboxylate Methyl-3,8-dioxocapnellan-14-oate
Wiley ID 1282037