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Tetra-o-benzylrosmarinic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Tetra-o-benzylrosmarinic acid
SpectraBase Compound ID KDeZLNlfmV8
InChI InChI=1S/C46H40O8/c47-45(26-23-34-21-24-40(50-30-35-13-5-1-6-14-35)42(27-34)52-32-37-17-9-3-10-18-37)54-44(46(48)49)29-39-22-25-41(51-31-36-15-7-2-8-16-36)43(28-39)53-33-38-19-11-4-12-20-38/h1-28,44H,29-33H2,(H,48,49)/b26-23+
InChIKey LEFMYXWWMBPGDU-WNAAXNPUSA-N
Mol Weight 720.8 g/mol
Molecular Formula C46H40O8
Exact Mass 720.272318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jUmUzpeAO5
Name Tetra-O-benzylrosmarinic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H40O8
InChI InChI=1S/C46H40O8/c47-45(26-23-34-21-24-40(50-30-35-13-5-1-6-14-35)42(27-34)52-32-37-17-9-3-10-18-37)54-44(46(48)49)29-39-22-25-41(51-31-36-15-7-2-8-16-36)43(28-39)53-33-38-19-11-4-12-20-38/h1-28,44H,29-33H2,(H,48,49)/b26-23+
InChIKey LEFMYXWWMBPGDU-WNAAXNPUSA-N
Molecular Weight 720.818 g/mol
SMILES OC(C(OC(\C=C\c1cc(OCc2ccccc2)c(cc1)OCc1ccccc1)=O)Cc1cc(OCc2ccccc2)c(cc1)OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-8b4b7afb7e3c975f8ce2
Source of Spectrum SO-0-761-26
Wiley ID 873756