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2-Pentenoic acid, 2-methyl-5-[1a,2,3,4,4a,5,7a,7b-octahydro-1,7-bis(hydroxymethyl)-4-methyl-1H-cyclobuta[de]naphthalen-1-yl]-, [1R-[1.alpha.,1(E),1a.alpha.,4.beta.,4a.alpha.,7a.alpha.,7b.alpha.]]-
SpectraBase Compound ID 6X6IFKWzNkq
InChI InChI=1S/C20H30O4/c1-12-5-8-16-17-15(12)7-6-14(10-21)18(17)20(16,11-22)9-3-4-13(2)19(23)24/h4,6,12,15-18,21-22H,3,5,7-11H2,1-2H3,(H,23,24)/b13-4+/t12-,15-,16?,17-,18-,20-/m1/s1
InChIKey GFUQKBATPLDJFF-SCUJKFSSSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nY6E23MUTk
Name 2-Pentenoic acid, 2-methyl-5-[1a,2,3,4,4a,5,7a,7b-octahydro-1,7-bis(hydroxymethyl)-4-methyl-1H-cyclobuta[de]naphthalen-1-yl]-, [1R-[1.alpha.,1(E),1a.alpha.,4.beta.,4a.alpha.,7a.alpha.,7b.alpha.]]-
CAS Registry Number 77911-95-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-12-5-8-16-17-15(12)7-6-14(10-21)18(17)20(16,11-22)9-3-4-13(2)19(23)24/h4,6,12,15-18,21-22H,3,5,7-11H2,1-2H3,(H,23,24)/b13-4+/t12-,15-,16?,17-,18-,20-/m1/s1
InChIKey GFUQKBATPLDJFF-SCUJKFSSSA-N
Molecular Weight 334.456 g/mol
SMILES OCC=1[C@]2([C@@](CC\C=C\(C(=O)O)C)(C3[C@]2([C@](CC1)([C@@](CC3)(C)[H])[H])[H])CO)[H]
SPLASH splash10-014j-0931000000-dbe461b589900159e554
Source of Spectrum F-36-3257-0
Synonyms (2E)-5-[(1R,4R,4aR,7aS,7bR)-1,7-bis(hydroxymethyl)-4-methyl-1a,2,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[de]naphthalen-1-yl]-2-methyl-2-pentenoic acid 18,19-Dihydroxydecipi-2(4),14-dien-1-oic acid 1H-cyclobuta[de]naphthalene, 2-pentenoic acid deriv.
Wiley ID 1331112