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Boehmenan D

View entire compound with spectra: 1 MS (GC)

Boehmenan D
SpectraBase Compound ID A3jnQVHe90Q
InChI InChI=1S/C41H42O13/c1-47-32-18-24(8-12-30(32)42)10-14-37(44)52-16-6-7-26-17-28-29(23-53-38(45)15-11-25-9-13-31(43)33(19-25)48-2)40(54-41(28)36(20-26)51-5)27-21-34(49-3)39(46)35(22-27)50-4/h8-15,17-22,29,40,42-43,46H,6-7,16,23H2,1-5H3/b14-10+,15-11+/t29-,40+/m1/s1
InChIKey QJHLWANOBFZANN-BHVFZGEYSA-N
Mol Weight 742.8 g/mol
Molecular Formula C41H42O13
Exact Mass 742.262541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yMM6P2G4e3
Name Boehmenan D
Alternate Name(s) 3-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-({[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}methyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H42O13
InChI InChI=1S/C41H42O13/c1-47-32-18-24(8-12-30(32)42)10-14-37(44)52-16-6-7-26-17-28-29(23-53-38(45)15-11-25-9-13-31(43)33(19-25)48-2)40(54-41(28)36(20-26)51-5)27-21-34(49-3)39(46)35(22-27)50-4/h8-15,17-22,29,40,42-43,46H,6-7,16,23H2,1-5H3/b14-10+,15-11+/t29-,40+/m1/s1
InChIKey QJHLWANOBFZANN-BHVFZGEYSA-N
Molecular Weight 742.774 g/mol
SMILES Oc1c(cc(\C=C\C(OC[C@@]2(c3c(c(cc(CCCOC(\C=C\c4ccc(c(c4)OC)O)=O)c3)OC)O[C@]2(c2cc(OC)c(c(c2)OC)O)[H])[H])=O)cc1)OC
SPLASH splash10-002b-0903070000-10cc1459388ad0786e04
Source of Spectrum F-51-12455-7
Wiley ID 794265