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acetic acid [3,5,7,9,11,13-hexaacetoxy-4,6-dimethyl-1-(2,4,6-triacetoxy-1,3,5-trimethyl-hexyl)tridecyl] ester
SpectraBase Compound ID Fzfbh1Lm1oL
InChI InChI=1S/C44H70O20/c1-22(21-56-28(7)46)42(62-34(13)52)26(5)44(64-36(15)54)25(4)41(61-33(12)51)20-40(60-32(11)50)24(3)43(63-35(14)53)23(2)39(59-31(10)49)19-38(58-30(9)48)18-37(57-29(8)47)16-17-55-27(6)45/h22-26,37-44H,16-21H2,1-15H3
InChIKey ANDVHIFIYMYXFR-UHFFFAOYSA-N
Mol Weight 919.0 g/mol
Molecular Formula C44H70O20
Exact Mass 918.446045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHEgJyf7dOK
Name acetic acid [3,5,7,9,11,13-hexaacetoxy-4,6-dimethyl-1-(2,4,6-triacetoxy-1,3,5-trimethyl-hexyl)tridecyl] ester
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H70O20
InChI InChI=1S/C44H70O20/c1-22(21-56-28(7)46)42(62-34(13)52)26(5)44(64-36(15)54)25(4)41(61-33(12)51)20-40(60-32(11)50)24(3)43(63-35(14)53)23(2)39(59-31(10)49)19-38(58-30(9)48)18-37(57-29(8)47)16-17-55-27(6)45/h22-26,37-44H,16-21H2,1-15H3
InChIKey ANDVHIFIYMYXFR-UHFFFAOYSA-N
Literature Reference Author M.ONO,S.SAKUDA,H.IKEDA,K.FURIHATA,J.NAKAYAMA,A.SUZUKI,A.ISOG AI
Literature Reference Citation J.ANTIBIOTICS,51,1019(1998)
Literature Reference DOI 10.7164/antibiotics.51.1019
Molecular Weight 919.028 g/mol
Solvent CD3OD
Source File Reference UWKP1913