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Ethanone, 2-[1-[[3-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]methoxy]-5-methyl-2-(1-methylethyl)cyclohexyl]-1-phenyl-, [1R-[1.alpha.,2.beta.(1R*,2S*,5R*),3.beta.,4.alpha.]]-
SpectraBase Compound ID 91kPk96Vzfr
InChI InChI=1S/C27H38O3/c1-18(2)25-12-9-19(3)14-27(25,15-26(29)20-7-5-4-6-8-20)30-17-24-22-11-10-21(13-22)23(24)16-28/h4-8,10-11,18-19,21-25,28H,9,12-17H2,1-3H3/t19-,21+,22+,23+,24?,25+,27-/m1/s1
InChIKey BIZHCGQUNATQIM-GLWBVENTSA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H38O3
Exact Mass 410.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjfXj8Sh2ph
Name Ethanone, 2-[1-[[3-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]methoxy]-5-methyl-2-(1-methylethyl)cyclohexyl]-1-phenyl-, [1R-[1.alpha.,2.beta.(1R*,2S*,5R*),3.beta.,4.alpha.]]-
CAS Registry Number 119972-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-18(2)25-12-9-19(3)14-27(25,15-26(29)20-7-5-4-6-8-20)30-17-24-22-11-10-21(13-22)23(24)16-28/h4-8,10-11,18-19,21-25,28H,9,12-17H2,1-3H3/t19-,21+,22+,23+,24?,25+,27-/m1/s1
InChIKey BIZHCGQUNATQIM-GLWBVENTSA-N
Molecular Weight 410.598 g/mol
SMILES OC[C@]1([C@]2(C=C[C@](C1CO[C@]1(CC(=O)c3ccccc3)[C@@](CC[C@](C1)(C)[H])(C(C)C)[H])(C2)[H])[H])[H]
SPLASH splash10-0a4i-0920000000-3cfead7b2cce61a93745
Source of Spectrum J-54-2605-21
Synonyms 2-((1R,2S,5R)-1-{[(3S,4R)-3-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]methoxy}-2-isopropyl-5-methylcyclohexyl)-1-phenylethanone
Wiley ID 1373831