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COPALIC_ACID;5-(2-METHYLENE-5,5,8A-TRIMEHYL-(1-R,4A-R,8A-R)-DECAHYDRONAPHTHALEN-1-YL)-3-METHYLPENT-2-E-ENOIC_ACID
SpectraBase Compound ID 4WIGtPf7WRF
InChI InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1
InChIKey JFQBNOIJWROZGE-HPMXROJMSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1r4nzbIB828
Name Copalic acid
Alternate Name(s) (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-2-pentenoic acid (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enoic acid (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-enoic acid
CAS Registry Number 80657-12-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1
InChIKey JFQBNOIJWROZGE-HPMXROJMSA-N
Molecular Weight 304.474 g/mol
SMILES OC(\C=C\(CC[C@]1([C@]2([C@@](C(C)(C)CCC2)(CCC1=C)[H])C)[H])C)=O
SPLASH splash10-00dr-0940000000-987a1f473977e64726db
Source of Spectrum KC-1983-138-0
Wiley ID 1306882