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CURCARABRANOL-A
SpectraBase Compound ID 1JqBlqNHA6k
InChI InChI=1S/C15H24O3/c1-9(16)5-6-10-11-7-12(14(2,3)18)13(17)8-15(10,11)4/h10-12,18H,5-8H2,1-4H3/t10-,11-,12-,15+/m1/s1
InChIKey FARHRLFSUJIINR-BLTAXRJOSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2md5z4EmTlP
Name (1R,3S,6S,7R)-3-(2-hydroxypropan-2-yl)-6-methyl-7-(3-oxobutyl)-4-bicyclo[4.1.0]heptanone
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Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-9(16)5-6-10-11-7-12(14(2,3)18)13(17)8-15(10,11)4/h10-12,18H,5-8H2,1-4H3/t10-,11-,12-,15+/m1/s1
InChIKey FARHRLFSUJIINR-BLTAXRJOSA-N
Molecular Weight 252.354 g/mol
SMILES OC([C@]1(C(C[C@@]2([C@@](C1)([H])[C@]2(CCC(=O)C)[H])C)=O)[H])(C)C
SPLASH splash10-0006-9030000000-f8ff829fe710409b31d9
Source of Spectrum KC-57-8450-3
Synonyms (1R,3S,6S,7R)-3-(2-hydroxypropan-2-yl)-6-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-4-one (1R,3S,6S,7R)-6-methyl-7-(3-oxidanylidenebutyl)-3-(2-oxidanylpropan-2-yl)bicyclo[4.1.0]heptan-4-one (1S,4S,6R,7R)-4-(1-hydroxy-1-methyl-ethyl)-1-methyl-7-(3-oxobutyl)norcaran-3-one (1S,4S,6R,7R)-4-(1-hydroxy-1-methyl-ethyl)-7-(3-ketobutyl)-1-methyl-norcaran-3-one
Wiley ID 1626062