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15-Hydroxycadin-4-en-12-oic acid

View entire compound with spectra: 1 MS (GC)

15-Hydroxycadin-4-en-12-oic acid
SpectraBase Compound ID CPkAhz6qT9V
InChI InChI=1S/C15H24O3/c1-9-3-5-13(10(2)15(17)18)14-7-11(8-16)4-6-12(9)14/h7,9-10,12-14,16H,3-6,8H2,1-2H3,(H,17,18)/t9-,10-,12+,13+,14+/m1/s1
InChIKey JTUOWRWJSXCKMC-JHYOHUSXSA-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 pfCO5AzVA
Name 15-Hydroxycadin-4-en-12-oic acid
Alternate Name(s) (R)-2-((1R,4R,4aS,8aS)-7-Hydroxymethyl-4-methyl-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-1-yl)-propionic acid (2R)-2-[(1R,4R,4aS,8aS)-7-(hydroxymethyl)-4-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic acid
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Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-9-3-5-13(10(2)15(17)18)14-7-11(8-16)4-6-12(9)14/h7,9-10,12-14,16H,3-6,8H2,1-2H3,(H,17,18)/t9-,10-,12+,13+,14+/m1/s1
InChIKey JTUOWRWJSXCKMC-JHYOHUSXSA-N
Molecular Weight 252.354 g/mol
SMILES OC([C@@]([C@]1([C@]2(C=C(CO)CC[C@]2([C@@](CC1)(C)[H])[H])[H])[H])(C)[H])=O
SPLASH splash10-01qa-2960000000-71732672d6d8de66c8d3
Source of Spectrum F-54-4354-3
Wiley ID 806577