John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1yat3B2SHWY SpectraBase Spectrum ID=3m4kxs0Um1A

(accessed ).
16-CHLORO-6-DECHLORO-5,16-DIHYDRO-DELTA-5,6-BRIANTHEIN_Y
SpectraBase Compound ID 1yat3B2SHWY
InChI InChI=1S/C28H37ClO10/c1-7-8-20(32)37-18-10-9-17(12-29)11-19-28(34,14(3)26(33)38-19)24(36-16(5)31)21-13(2)22(35-15(4)30)23-25(39-23)27(18,21)6/h9-11,13-14,18-19,21-25,34H,7-8,12H2,1-6H3/b10-9-,17-11+/t13-,14+,18+,19+,21-,22+,23+,24+,25+,27-,28+/m1/s1
InChIKey LJYPGOBEIWPPDF-DKHIJYKESA-N
Mol Weight 569.0 g/mol
Molecular Formula C28H37ClO10
Exact Mass 568.207525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3m4kxs0Um1A
Name 16-CHLORO-6-DECHLORO-5,16-DIHYDRO-DELTA-5,6-BRIANTHEIN_Y
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H37ClO10
InChI InChI=1S/C28H37ClO10/c1-7-8-20(32)37-18-10-9-17(12-29)11-19-28(34,14(3)26(33)38-19)24(36-16(5)31)21-13(2)22(35-15(4)30)23-25(39-23)27(18,21)6/h9-11,13-14,18-19,21-25,34H,7-8,12H2,1-6H3/b10-9-,17-11+/t13-,14+,18+,19+,21-,22+,23+,24+,25+,27-,28+/m1/s1
InChIKey LJYPGOBEIWPPDF-DKHIJYKESA-N
Literature Reference Author J.M.CRONAN,A.LEE,J.LIANG,J.CLARDY,J.H.CARDELLINA
Literature Reference Citation J.NAT.PROD.,73,346(2010)
Literature Reference DOI 10.1021/np800381n
Molecular Weight 569.049 g/mol
Sample ID 35046
Solvent CDCl3
SpectraBase Batch ID 2K6FYhWOeKo