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endo-14-Acetyl-3-methoxy-5-pentyl-12-phenyl-8-oxatricyclo[4.8.1.0(1,10).0(2,7)]tetradeca-2,4,6,10-tetraene
SpectraBase Compound ID 53HmQWhV5hN
InChI InChI=1S/C27H32O3/c1-4-5-7-10-19-13-24(29-3)27-25(14-19)30-17-22-15-21(20-11-8-6-9-12-20)16-23(18(2)28)26(22)27/h6,8-9,11-15,21,23,26H,4-5,7,10,16-17H2,1-3H3/t21-,23?,26+/m0/s1
InChIKey AJALPOYXWRJIIN-QTJDDQPJSA-N
Mol Weight 404.6 g/mol
Molecular Formula C27H32O3
Exact Mass 404.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vaHZauQYXH
Name endo-14-Acetyl-3-methoxy-5-pentyl-12-phenyl-8-oxatricyclo[4.8.1.0(1,10).0(2,7)]tetradeca-2,4,6,10-tetraene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O3
InChI InChI=1S/C27H32O3/c1-4-5-7-10-19-13-24(29-3)27-25(14-19)30-17-22-15-21(20-11-8-6-9-12-20)16-23(18(2)28)26(22)27/h6,8-9,11-15,21,23,26H,4-5,7,10,16-17H2,1-3H3/t21-,23?,26+/m0/s1
InChIKey AJALPOYXWRJIIN-QTJDDQPJSA-N
Molecular Weight 404.550 g/mol
SMILES [C@@]12(C(=C[C@@](CC2C(=O)C)(c2ccccc2)[H])COc2c1c(cc(CCCCC)c2)OC)[H]
SPLASH splash10-001i-0009500000-5b8086f055a088d57716
Source of Spectrum G2-2002-1898-25
Synonyms exo-14-Acetyl-3-methoxy-5-pentyl-12-phenyl-8-oxatricyclo[4.8.1.0(1,10).0(2,7)]tetradeca-2,4,6,10-tetraene
Wiley ID 1617811