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TPU-0043;(2R)-(N-BUTYL)-16-METHYL-(3S,5S,7S,9R,11R,13R,15S,26S,27R)-NONAHYDROXYOCTACOSA-16,18,20,22,24-PENTAENOIC-ACID
SpectraBase Compound ID 9VKthaEAEmC
InChI InChI=1S/C33H54O10/c1-4-5-14-29-32(41)21-28(38)19-26(36)17-24(34)16-25(35)18-27(37)20-31(40)22(2)13-11-9-7-6-8-10-12-15-30(39)23(3)43-33(29)42/h6-13,15,23-32,34-41H,4-5,14,16-21H2,1-3H3/b7-6+,10-8+,11-9+,15-12+,22-13+/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32+/m1/s1
InChIKey QAPUWNJNUGPVPM-ODCCBLIFSA-N
Mol Weight 610.8 g/mol
Molecular Formula C33H54O10
Exact Mass 610.371698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ck0kLrAfSLc
Name TPU-0043;(2R)-(N-BUTYL)-16-METHYL-(3S,5S,7S,9R,11R,13R,15S,26S,27R)-NONAHYDROXYOCTACOSA-16,18,20,22,24-PENTAENOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H54O10
InChI InChI=1S/C33H54O10/c1-4-5-14-29-32(41)21-28(38)19-26(36)17-24(34)16-25(35)18-27(37)20-31(40)22(2)13-11-9-7-6-8-10-12-15-30(39)23(3)43-33(29)42/h6-13,15,23-32,34-41H,4-5,14,16-21H2,1-3H3/b7-6+,10-8+,11-9+,15-12+,22-13+/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32+/m1/s1
InChIKey QAPUWNJNUGPVPM-ODCCBLIFSA-N
Literature Reference Author Y.IGARASHI,Y.IN,T.ISHIDA,T.FUJITA,T.YAMAKAWA,H.ONAKA,T.FURUM AI
Literature Reference Citation J.ANTIBIOTICS,58,523(2005)
Literature Reference DOI 10.1038/ja.2005.71
Molecular Weight 610.786 g/mol
Solvent CD3OD
Source File Reference UWMB31