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SHEPHAGENIN_A
SpectraBase Compound ID 3R9hwsjfTGb
InChI InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)44(70)77-22-8-75-45(71)13-7-21(76-38-14(42(66)67)6-20(54)31(59)37(38)65)32(60)36(64)26(13)25-10(3-17(51)30(58)35(25)63)46(72)78-39(22)40-41(43(68)69)80-48(74)12-5-19(53)29(57)34(62)24(12)23-11(47(73)79-40)4-18(52)28(56)33(23)61/h1-7,22,39-41,49-65H,8H2,(H,66,67)(H,68,69)/t22-,39-,40-,41+/m0/s1
InChIKey DJYGJCGULKJOGJ-MMZJOPOJSA-N
Mol Weight 1120.8 g/mol
Molecular Formula C48H32O32
Exact Mass 1120.087669 g/mol
Enantiomer InChIKey DJYGJCGULKJOGJ-QWQIPKQHSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6:D2O
Title Journal or Book Year
Tannins and Related Polyphenols from Elaeagnaceous Plants. Part 2. New Hydrolyzable Tannins, Shephagenins A and B, from Shepherdia argentea as HIV-1 Reverse Transcriptase Inhibitors. Chemical and Pharmaceutical Bulletin 1996

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