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2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 1-(1-hydroxy-1-methylethyl)-4-oxo-2-pentenyl ester, [1S-[1.alpha.(1R*,2E),4.beta.]]-

View entire compound with spectra: 1 MS (GC)

2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 1-(1-hydroxy-1-methylethyl)-4-oxo-2-pentenyl ester, [1S-[1.alpha.(1R*,2E),4.beta.]]-
SpectraBase Compound ID HIxEcuoW30f
InChI InChI=1S/C18H26O6/c1-11(19)7-8-12(15(2,3)22)23-14(21)18-10-9-17(6,13(20)24-18)16(18,4)5/h7-8,12,22H,9-10H2,1-6H3/b8-7+/t12?,17-,18+/m0/s1
InChIKey LRHZYOJUFNMQOS-IHVCWMGFSA-N
Mol Weight 338.4 g/mol
Molecular Formula C18H26O6
Exact Mass 338.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8spRQ6C1yW4
Name 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 1-(1-hydroxy-1-methylethyl)-4-oxo-2-pentenyl ester, [1S-[1.alpha.(1R*,2E),4.beta.]]-
CAS Registry Number 92466-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O6
InChI InChI=1S/C18H26O6/c1-11(19)7-8-12(15(2,3)22)23-14(21)18-10-9-17(6,13(20)24-18)16(18,4)5/h7-8,12,22H,9-10H2,1-6H3/b8-7+/t12?,17-,18+/m0/s1
InChIKey LRHZYOJUFNMQOS-IHVCWMGFSA-N
Molecular Weight 338.400 g/mol
SMILES OC(C(\C=C\C(=O)C)OC([C@]12OC(=O)[C@](C2(C)C)(C)CC1)=O)(C)C
SPLASH splash10-000x-9100000000-054d4e1b1cf72abc72a8
Source of Spectrum H-67-1289-0
Synonyms (2E)-1-(1-hydroxy-1-methylethyl)-4-oxo-2-pentenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate Camphanoic acid ester of (3E)-5,6-dihydroxy-6-methyl-3-heptene-2-one
Wiley ID 1333660