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Hepta-acetyl-scirpusin B
SpectraBase Compound ID BU3zim8cTeM
InChI InChI=1S/C42H36O15/c1-21(43)50-32-16-31(17-33(19-32)51-22(2)44)41-40-29(10-8-28-9-12-35(53-24(4)46)37(14-28)55-26(6)48)15-34(52-23(3)45)20-39(40)57-42(41)30-11-13-36(54-25(5)47)38(18-30)56-27(7)49/h8-20,41-42H,1-7H3/b10-8+
InChIKey SEFYQTJGRIJYRX-CSKARUKUSA-N
Mol Weight 780.7 g/mol
Molecular Formula C42H36O15
Exact Mass 780.20542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zzAj8dRNNZ
Name Hepta-acetyl-scirpusin B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H36O15
InChI InChI=1S/C42H36O15/c1-21(43)50-32-16-31(17-33(19-32)51-22(2)44)41-40-29(10-8-28-9-12-35(53-24(4)46)37(14-28)55-26(6)48)15-34(52-23(3)45)20-39(40)57-42(41)30-11-13-36(54-25(5)47)38(18-30)56-27(7)49/h8-20,41-42H,1-7H3/b10-8+
InChIKey SEFYQTJGRIJYRX-CSKARUKUSA-N
Molecular Weight 780.735 g/mol
SMILES C1(C(c2c(\C=C\c3cc(OC(=O)C)c(cc3)OC(=O)C)cc(cc2O1)OC(=O)C)c1cc(OC(=O)C)cc(c1)OC(=O)C)c1cc(OC(=O)C)c(cc1)OC(=O)C
SPLASH splash10-0006-9000000000-cfdfee4afa4f29836a4b
Source of Spectrum X2-50-295-5
Synonyms 5-[.beta.-3',4'-Diacetoxyphenyl)ethenyl]-3-acetoxy-6,7-bis[3'',4'' /4''' 5'''-diacetoxyphenyl]-6,7-dihydrobenzopyran
Wiley ID 1602248