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DUNNIANA-ACID-A;3,4-SECO-2(4)-CLERODEN-3,15-DIOIC-ACID
SpectraBase Compound ID CogGqh0xrvR
InChI InChI=1S/C20H32O4/c1-12(10-17(21)22)6-8-19(4)13(2)7-9-20(5)14(3)15(18(23)24)11-16(19)20/h12-13,16H,6-11H2,1-5H3,(H,21,22)(H,23,24)/t12?,13-,16-,19+,20+/m1/s1
InChIKey BXKYVIXFZNEZFP-JZQROIDNSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8L23AVhGi
Name (3aR,6R,7S,7aR)-3,3a,6,7-tetramethyl-7-(3-methyl-5-oxidanyl-5-oxidanylidene-pentyl)-4,5,6,7a-tetrahydro-1H-indene-2-carboxylic acid
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Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-12(10-17(21)22)6-8-19(4)13(2)7-9-20(5)14(3)15(18(23)24)11-16(19)20/h12-13,16H,6-11H2,1-5H3,(H,21,22)(H,23,24)/t12?,13-,16-,19+,20+/m1/s1
InChIKey BXKYVIXFZNEZFP-JZQROIDNSA-N
Molecular Weight 336.472 g/mol
SMILES OC(CC(CC[C@@]1([C@@]2([C@](C(=C(C(=O)O)C2)C)(CC[C@]1(C)[H])C)[H])C)C)=O
SPLASH splash10-0v4i-4955000000-f2902a2a9abaaea7caf7
Source of Spectrum G4-65-394-1
Synonyms (3aR,6R,7S,7aR)-7-(4-carboxy-3-methylbutyl)-3,3a,6,7-tetramethyl-4,5,6,7a-tetrahydro-1H-indene-2-carboxylic acid
Wiley ID 1639359