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9-OXOEPOTHILONE_D,DIASTEREOMER_1

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9-OXOEPOTHILONE_D,DIASTEREOMER_1
SpectraBase Compound ID K79leiYuNl6
InChI InChI=1S/C27H39NO6S/c1-15-8-10-21(29)17(3)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(11-9-15)16(2)12-20-14-35-19(5)28-20/h9,12,14,17-18,22-23,25,30,32H,8,10-11,13H2,1-7H3/b15-9-,16-12+/t17?,18-,22+,23+,25+/m0/s1
InChIKey VFLSVROIWGPRPN-JPYMOFKSSA-N
Mol Weight 505.7 g/mol
Molecular Formula C27H39NO6S
Exact Mass 505.249809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6WNCpZyyqW
Name 9-OXOEPOTHILONE_D,DIASTEREOMER_1
Compound Number 7/8,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39NO6S
InChI InChI=1S/C27H39NO6S/c1-15-8-10-21(29)17(3)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(11-9-15)16(2)12-20-14-35-19(5)28-20/h9,12,14,17-18,22-23,25,30,32H,8,10-11,13H2,1-7H3/b15-9-,16-12+/t17?,18-,22+,23+,25+/m0/s1
InChIKey VFLSVROIWGPRPN-JPYMOFKSSA-N
Literature Reference Author L.TANG,L.CHUNG,J.R.CARNEY,C.M.STARKS,P.LICARI,L.KATZ
Literature Reference Citation J.ANTIBIOTICS,58,178(2005)
Literature Reference DOI 10.1038/ja.2005.20
Molecular Weight 505.670 g/mol
Sample ID 20
Solvent CDCl3