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(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.21.1]heptane-1-carboxylic acid, (3S,5E)-4,4-dimethyl-6-[(1'S)-(2',2',3'-trimethylcyclopent-3'-en-1'-yl)]hex-5-en-3-yl ester

View entire compound with spectra: 1 MS (GC)

(1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.21.1]heptane-1-carboxylic acid, (3S,5E)-4,4-dimethyl-6-[(1'S)-(2',2',3'-trimethylcyclopent-3'-en-1'-yl)]hex-5-en-3-yl ester
SpectraBase Compound ID AkV3JhBBIhd
InChI InChI=1S/C26H40O4/c1-10-19(22(3,4)14-13-18-12-11-17(2)23(18,5)6)29-21(28)26-16-15-25(9,20(27)30-26)24(26,7)8/h11,13-14,18-19H,10,12,15-16H2,1-9H3/b14-13+/t18-,19-,25+,26-/m0/s1
InChIKey BGSPEVWYMLNIJQ-JTWQWFRSSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hdGBFDyfJ2
Name (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.21.1]heptane-1-carboxylic acid, (3S,5E)-4,4-dimethyl-6-[(1'S)-(2',2',3'-trimethylcyclopent-3'-en-1'-yl)]hex-5-en-3-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-10-19(22(3,4)14-13-18-12-11-17(2)23(18,5)6)29-21(28)26-16-15-25(9,20(27)30-26)24(26,7)8/h11,13-14,18-19H,10,12,15-16H2,1-9H3/b14-13+/t18-,19-,25+,26-/m0/s1
InChIKey BGSPEVWYMLNIJQ-JTWQWFRSSA-N
Molecular Weight 416.602 g/mol
SMILES [C@]12(OC(=O)[C@@](C2(C)C)(C)CC1)C(O[C@](C(\C=C\[C@]1(C(C(C)=CC1)(C)C)[H])(C)C)(CC)[H])=O
SPLASH splash10-0aru-9500000000-862ff75fd9f4c3c77db2
Source of Spectrum KC-61-11200-11
Wiley ID 1631236