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BISPOLIDE-B2B

View entire compound with spectra: 1 NMR

BISPOLIDE-B2B
SpectraBase Compound ID JKBxegqKTpS
InChI InChI=1S/C63H102O19/c1-14-41-22-20-24-43(16-3)59(35(7)48(65)31-62(73)33-50(45(18-5)37(9)81-62)77-54-30-47(64)55(69)39(11)75-54)79-52(67)28-26-42(15-2)23-21-25-44(17-4)60(80-53(68)29-27-41)36(8)49(66)32-63(74-13)34-51(46(19-6)38(10)82-63)78-61-58(72)57(71)56(70)40(12)76-61/h20-29,35-40,43-51,54-61,64-66,69-73H,14-19,30-34H2,1-13H3/b24-20+,25-21+,28-26+,29-27+,41-22+,42-23+
InChIKey JZUWMNDFGYWJGS-SCEUPTODSA-N
Mol Weight 1163.5 g/mol
Molecular Formula C63H102O19
Exact Mass 1162.701531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AxaBm2SkyD
Name BISPOLIDE-B2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C63H102O19
InChI InChI=1S/C63H102O19/c1-14-41-22-20-24-43(16-3)59(35(7)48(65)31-62(73)33-50(45(18-5)37(9)81-62)77-54-30-47(64)55(69)39(11)75-54)79-52(67)28-26-42(15-2)23-21-25-44(17-4)60(80-53(68)29-27-41)36(8)49(66)32-63(74-13)34-51(46(19-6)38(10)82-63)78-61-58(72)57(71)56(70)40(12)76-61/h20-29,35-40,43-51,54-61,64-66,69-73H,14-19,30-34H2,1-13H3/b24-20+,25-21+,28-26+,29-27+,41-22+,42-23+
InChIKey JZUWMNDFGYWJGS-SCEUPTODSA-N
Literature Reference Author N.OKUJO,H.IINUMA,A.GEORGE,K.S.EIM,T.L.LI,N.S.TING,T.C.JYE,K. HOTTA,M.HATSU,Y.FUKA
Literature Reference Citation J.ANTIBIOTICS,60,216(2007)
Literature Reference DOI 10.1038/ja.2007.26
Molecular Weight 1163.491 g/mol
Solvent ACETONE-D6
Source File Reference UWDB1161