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(2S,3S,4R,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-HEXAHYDROXYJATROPHA-6(17),11-DIEN-14-ONE-5,7,8-TRIS-(2-METHYLPROPIONATE)
SpectraBase Compound ID OBXEAkh9Ac
InChI InChI=1S/C32H50O10/c1-15(2)28(36)40-23-20(9)24(41-29(37)16(3)4)25(42-30(38)17(5)6)27(35)31(10,11)13-12-18(7)26(34)32(39)14-19(8)22(33)21(23)32/h12-13,15-19,21-25,27,33,35,39H,9,14H2,1-8,10-11H3/b13-12+/t18-,19-,21+,22-,23-,24-,25+,27+,32+/m0/s1
InChIKey CTIRLELUOAEMHA-PLJXDGIASA-N
Mol Weight 594.7 g/mol
Molecular Formula C32H50O10
Exact Mass 594.340398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZ95KvDPW1d
Name (2S,3S,4R,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-HEXAHYDROXYJATROPHA-6(17),11-DIEN-14-ONE-5,7,8-TRIS-(2-METHYLPROPIONATE)
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H50O10
InChI InChI=1S/C32H50O10/c1-15(2)28(36)40-23-20(9)24(41-29(37)16(3)4)25(42-30(38)17(5)6)27(35)31(10,11)13-12-18(7)26(34)32(39)14-19(8)22(33)21(23)32/h12-13,15-19,21-25,27,33,35,39H,9,14H2,1-8,10-11H3/b13-12+/t18-,19-,21+,22-,23-,24-,25+,27+,32+/m0/s1
InChIKey CTIRLELUOAEMHA-PLJXDGIASA-N
Literature Reference Author J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE,J.JAKUPOVIC,F.JESKE
Literature Reference Citation PHYTOCHEM.,47,1621(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00833-9
Molecular Weight 594.743 g/mol
Solvent CDCl3
Source File Reference UWMS858