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Hexa-acetyl-scirpusin A
SpectraBase Compound ID 20ywqAnkZtk
InChI InChI=1S/C40H34O13/c1-21(41)47-31-12-10-28(11-13-31)40-39(30-17-32(48-22(2)42)19-33(18-30)49-23(3)43)38-29(16-34(50-24(4)44)20-37(38)53-40)9-7-27-8-14-35(51-25(5)45)36(15-27)52-26(6)46/h7-20,39-40H,1-6H3/b9-7+
InChIKey VZRXEDMWCOCBJA-VQHVLOKHSA-N
Mol Weight 722.7 g/mol
Molecular Formula C40H34O13
Exact Mass 722.199941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bFOCzt39ls
Name Hexa-acetyl-scirpusin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H34O13
InChI InChI=1S/C40H34O13/c1-21(41)47-31-12-10-28(11-13-31)40-39(30-17-32(48-22(2)42)19-33(18-30)49-23(3)43)38-29(16-34(50-24(4)44)20-37(38)53-40)9-7-27-8-14-35(51-25(5)45)36(15-27)52-26(6)46/h7-20,39-40H,1-6H3/b9-7+
InChIKey VZRXEDMWCOCBJA-VQHVLOKHSA-N
Molecular Weight 722.699 g/mol
SMILES C1(C(Oc2c1c(\C=C\c1cc(OC(=O)C)c(cc1)OC(=O)C)cc(OC(=O)C)c2)c1ccc(OC(=O)C)cc1)c1cc(OC(=O)C)cc(c1)OC(=O)C
SPLASH splash10-0006-9000000000-f6efea6ab5baf799868a
Source of Spectrum X2-50-295-4
Synonyms 5-[.beta.-(3',4'-Diacetoxyphenyl)ethenyl]-3-acetoxy-6,7-bis[3'',4'' / 5''-diacetoxyphenyl]-6,7-dihydrobenzopyran
Wiley ID 1602190