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3a,6-Ethano-3aH-indene-4-pentanoic acid, 1,2,3,4,5,6-hexahydro-8-hydroxy-.alpha.,1,5,5-tetramethyl-.gamma.-oxo-
SpectraBase Compound ID 5IvEgNjrnGA
InChI InChI=1S/C20H30O4/c1-11-5-6-20-15(11)8-13(9-17(20)22)19(3,4)16(20)10-14(21)7-12(2)18(23)24/h8,11-13,16-17,22H,5-7,9-10H2,1-4H3,(H,23,24)/t11?,12?,13-,16?,17+,20-/m1/s1
InChIKey LGFLZIGEHQTASA-NGVWUEDGSA-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 2CpUEsUIxGB
Name 3a,6-Ethano-3aH-indene-4-pentanoic acid, 1,2,3,4,5,6-hexahydro-8-hydroxy-.alpha.,1,5,5-tetramethyl-.gamma.-oxo-
Alternate Name(s) 4,8,8-Trimethyl-10-hydroxy-9-(2-oxo-4-hydroxycarbonyl-pentyl)-tricyclo[5.2.2.0(1,5)]undecan-5-ene 5-(10-hydroxy-4,8,8-trimethyltricyclo[5.2.2.0(1,5)]undec-5-en-9-yl)-2-methyl-4-oxopentanoic acid
CAS Registry Number 99534-16-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-11-5-6-20-15(11)8-13(9-17(20)22)19(3,4)16(20)10-14(21)7-12(2)18(23)24/h8,11-13,16-17,22H,5-7,9-10H2,1-4H3,(H,23,24)/t11?,12?,13-,16?,17+,20-/m1/s1
InChIKey LGFLZIGEHQTASA-NGVWUEDGSA-N
Molecular Weight 334.456 g/mol
SMILES O[C@]1(C[C@]2(C=C3[C@@]1(C(CC(CC(C(=O)O)C)=O)C2(C)C)CCC3C)[H])[H]
SPLASH splash10-0udi-0940000000-1d9d5eb4805fd94c80f9
Source of Spectrum B-38-1356-17
Wiley ID 1331117