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4a(2H)-Naphthalenecarboxylic acid, 1-[2-(3-furanyl)ethyl]-1,3,4,7,8,8a-hexahydro-4-hydroxy-1,2,5-trimethyl-, [1S-(1.alpha.,2.beta.,4.beta.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID FzmIf7dRjId
InChI InChI=1S/C20H28O4/c1-13-5-4-6-16-19(3,9-7-15-8-10-24-12-15)14(2)11-17(21)20(13,16)18(22)23/h5,8,10,12,14,16-17,21H,4,6-7,9,11H2,1-3H3,(H,22,23)/t14-,16-,17+,19-,20-/m0/s1
InChIKey QVNWBXBUWGPGRM-NGMIUWCPSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FMzhJpLlms
Name 4a(2H)-Naphthalenecarboxylic acid, 1-[2-(3-furanyl)ethyl]-1,3,4,7,8,8a-hexahydro-4-hydroxy-1,2,5-trimethyl-, [1S-(1.alpha.,2.beta.,4.beta.,4a.beta.,8a.alpha.)]-
CAS Registry Number 112606-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13-5-4-6-16-19(3,9-7-15-8-10-24-12-15)14(2)11-17(21)20(13,16)18(22)23/h5,8,10,12,14,16-17,21H,4,6-7,9,11H2,1-3H3,(H,22,23)/t14-,16-,17+,19-,20-/m0/s1
InChIKey QVNWBXBUWGPGRM-NGMIUWCPSA-N
Molecular Weight 332.440 g/mol
SMILES O[C@@]1(C[C@@]([C@@]([C@]2([C@@]1(C(=O)O)C(=CCC2)C)[H])(CCc1cocc1)C)(C)[H])[H]
SPLASH splash10-001i-9500000000-fd807b86b731493db3c8
Source of Spectrum I-65-2689-2
Synonyms (-)-Kerlinic acid (1S,2S,4R,4aR,8aS)-1-[2-(3-furyl)ethyl]-4-hydroxy-1,2,5-trimethyl-1,3,4,7,8,8a-hexahydro-4a(2H)-naphthalenecarboxylic acid 8-(2-(furan-3-yl)ethyl)4,7,8-trimethyl-5-hydroxybicyclo[4.4.0]dec-3-en-4a-yl methanoic acid
Wiley ID 1329619