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21-BETA-O-[(2E)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL

Compound with spectra: 1 NMR

21-BETA-O-[(2E)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL
SpectraBase Compound ID JaS0t7rrWZK
InChI InChI=1S/C45H72O8/c1-13-28(5)39(51)53-38-37(52-34(48)23-27(4)16-14-15-26(2)3)40(6,7)24-30-29-17-18-32-42(10)21-20-33(47)41(8,9)31(42)19-22-43(32,11)44(29,12)35(49)36(50)45(30,38)25-46/h15,17,23,28,30-33,35-38,46-47,49-50H,13-14,16,18-22,24-25H2,1-12H3/b27-23+/t28?,30-,31?,32+,33-,35-,36+,37-,38-,42-,43+,44-,45-/m0/s1
InChIKey DJKAFHSPKABGQI-XWMNEONHSA-N
Mol Weight 741.1 g/mol
Molecular Formula C45H72O8
Exact Mass 740.522719 g/mol
Enantiomer InChIKey DJKAFHSPKABGQI-DUHDDCRFSA-N

View Spectrum of 21-BETA-O-[(2E)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
21-BETA-O-[(2Z)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL
21-BETA-O-[(2Z)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL
Title Journal or Book Year
Cytotoxic Triterpenoid Saponins from Symplocos chinensis Journal of Natural Products 2004
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Unknown Identification

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