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2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 2,2,4-trimethyl-3-(3-oxo-1-butenyl)-3-cyclohexen-1-yl ester, [1S-[1.alpha.[R*(E)],4.beta.]]-
SpectraBase Compound ID 1zrOmyzK1sf
InChI InChI=1S/C23H32O5/c1-14-8-11-17(20(3,4)16(14)10-9-15(2)24)27-19(26)23-13-12-22(7,18(25)28-23)21(23,5)6/h9-10,17H,8,11-13H2,1-7H3/b10-9+/t17-,22-,23+/m0/s1
InChIKey IWQKZXVKEGQRSY-QKQIYPFKSA-N
Mol Weight 388.5 g/mol
Molecular Formula C23H32O5
Exact Mass 388.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cFhYo95DeL
Name 2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 2,2,4-trimethyl-3-(3-oxo-1-butenyl)-3-cyclohexen-1-yl ester, [1S-[1.alpha.[R*(E)],4.beta.]]-
CAS Registry Number 125075-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O5
InChI InChI=1S/C23H32O5/c1-14-8-11-17(20(3,4)16(14)10-9-15(2)24)27-19(26)23-13-12-22(7,18(25)28-23)21(23,5)6/h9-10,17H,8,11-13H2,1-7H3/b10-9+/t17-,22-,23+/m0/s1
InChIKey IWQKZXVKEGQRSY-QKQIYPFKSA-N
Molecular Weight 388.504 g/mol
SMILES [C@@]12(OC(=O)[C@](C2(C)C)(C)CC1)C(O[C@@]1(C(C(\C=C\C(=O)C)=C(CC1)C)(C)C)[H])=O
SPLASH splash10-002f-9700000000-025fead985f430e066a5
Source of Spectrum H-72-500-11
Synonyms (1S)-2,2,4-trimethyl-3-[(1E)-3-oxo-1-butenyl]-3-cyclohexen-1-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [(1'R)-2',2',4'-trimethyl-3'-(3''-oxobut-1''-enyl)cyclohex-3'-en-1'-yl]camphanoate
Wiley ID 1363964