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MASSARINOLIN-C
SpectraBase Compound ID GFYMXd1k0Hv
InChI InChI=1S/C15H22O4/c1-9-3-4-11-6-13(9)15(11,8-16)7-12(17)5-10(2)14(18)19/h5,11-13,16-17H,1,3-4,6-8H2,2H3,(H,18,19)/b10-5+/t11-,12+,13-,15-/m0/s1
InChIKey WGXKIUPZJQCFIU-SZDLVHABSA-N
Mol Weight 266.34 g/mol
Molecular Formula C15H22O4
Exact Mass 266.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Zctm9J9Xc
Name (E,4S)-4-hydroxy-2-methyl-5-[(1S,5S,6S)-2-methylene-6-methylol-norpinan-6-yl]pent-2-enoic acid
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Formula C15H22O4
InChI InChI=1S/C15H22O4/c1-9-3-4-11-6-13(9)15(11,8-16)7-12(17)5-10(2)14(18)19/h5,11-13,16-17H,1,3-4,6-8H2,2H3,(H,18,19)/b10-5+/t11-,12+,13-,15-/m0/s1
InChIKey WGXKIUPZJQCFIU-SZDLVHABSA-N
Molecular Weight 266.337 g/mol
SMILES OC(\C(=C\[C@](C[C@]1([C@@]2(C(=C)CC[C@]1(C2)[H])[H])CO)(O)[H])C)=O
SPLASH splash10-05ox-9400000000-ea345c7a68f023e12da4
Source of Spectrum G4-62-500-3
Synonyms (E,4S)-4-hydroxy-5-[(1S,5S,6S)-6-(hydroxymethyl)-2-methylene-norpinan-6-yl]-2-methyl-pent-2-enoic acid (E,4S)-4-hydroxy-5-[(1S,5S,6S)-6-(hydroxymethyl)-4-methylene-6-bicyclo[3.1.1]heptanyl]-2-methyl-2-pentenoic acid (E,4S)-4-hydroxy-5-[(1S,5S,6S)-6-(hydroxymethyl)-4-methylidene-6-bicyclo[3.1.1]heptanyl]-2-methylpent-2-enoic acid (E,4S)-5-[(1S,5S,6S)-6-(hydroxymethyl)-4-methylidene-6-bicyclo[3.1.1]heptanyl]-2-methyl-4-oxidanyl-pent-2-enoic acid
Wiley ID 1607837