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11,12-DEHYDRO-12,13-DIHYDRO-13-OXOEPOTHILONE_D

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11,12-DEHYDRO-12,13-DIHYDRO-13-OXOEPOTHILONE_D
SpectraBase Compound ID GdpumNDmoBn
InChI InChI=1S/C27H39NO6S/c1-15-9-8-10-16(2)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(12-21(15)29)17(3)11-20-14-35-19(5)28-20/h9,11,14,16,18,22-23,25,30,32H,8,10,12-13H2,1-7H3/b15-9-,17-11+/t16-,18-,22+,23+,25+/m0/s1
InChIKey BVZMBEFNZYHTTJ-HKQBFRJISA-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 CbFesrPLG62
Name 11,12-DEHYDRO-12,13-DIHYDRO-13-OXOEPOTHILONE_D
Compound Number 5,
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H39NO6S
InChI InChI=1S/C27H39NO6S/c1-15-9-8-10-16(2)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(12-21(15)29)17(3)11-20-14-35-19(5)28-20/h9,11,14,16,18,22-23,25,30,32H,8,10,12-13H2,1-7H3/b15-9-,17-11+/t16-,18-,22+,23+,25+/m0/s1
InChIKey BVZMBEFNZYHTTJ-HKQBFRJISA-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 19
Solvent CDCl3