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CARNEIC_ACID_B;5-[5-R-HYDROXY-2-S-(3-HYDROXY-1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-OCTAHYDRONAPHTHALEN-1-YL]-PENTA-2-E,4-E-DIENOIC-ACID

View entire compound with spectra: 1 NMR, and 1 MS (GC)

CARNEIC_ACID_B;5-[5-R-HYDROXY-2-S-(3-HYDROXY-1-METHYLPROPENYL)-1-R,2-S,4A-R,5,6,7,8-R,8A-R-OCTAHYDRONAPHTHALEN-1-YL]-PENTA-2-E,4-E-DIENOIC-ACID
SpectraBase Compound ID 896jmlNxtDZ
InChI InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1
InChIKey YGIXVFNOSSPFLR-RYAGCBDWSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5D80zJgtEQ
Name Carneic acid B
Alternate Name(s) (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-5-hydroxy-2-[(E)-4-hydroxybut-2-en-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid (2E,4E)-5-[(1R,2R,4aS,5R,8R,8aR)-3,8-dimethyl-5-oxidanyl-2-[(E)-4-oxidanylbut-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
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Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13-8-9-18(23)17-12-15(3)20(14(2)10-11-22)16(21(13)17)6-4-5-7-19(24)25/h4-7,10,12-13,16-18,20-23H,8-9,11H2,1-3H3,(H,24,25)/b6-4+,7-5+,14-10+/t13-,16+,17+,18-,20+,21-/m1/s1
InChIKey YGIXVFNOSSPFLR-RYAGCBDWSA-N
Molecular Weight 346.467 g/mol
SMILES OC(\C=C\C=C\[C@]1([C@@](\C(=C\CO)C)(C(=C[C@@]2([C@@]1([C@@](CC[C@]2(O)[H])(C)[H])[H])[H])C)[H])[H])=O
SPLASH splash10-0a4u-5911000000-9e1eca98a960ba1d6a28
Source of Spectrum G4-69-1201-2
Wiley ID 1694405