| SpectraBase Compound ID | BdXPPtYQCsM |
|---|---|
| InChI | InChI=1S/C83H129N17O20/c1-20-81(17,97-70(115)78(11,12)95-69(114)77(9,10)94-68(113)76(7,8)90-63(108)56(86-48(6)102)40-50-32-27-24-28-33-50)71(116)85-43-61(106)88-55(38-47(4)5)64(109)92-82(18,21-2)72(117)96-80(15,16)74(119)99-44-52(103)41-58(99)66(111)89-54(35-36-60(84)105)62(107)93-83(19,22-3)75(120)100-45-53(104)42-59(100)67(112)91-79(13,14)73(118)98-37-29-34-57(98)65(110)87-51(46-101)39-49-30-25-23-26-31-49/h23-28,30-33,47,51-59,101,103-104H,20-22,29,34-46H2,1-19H3,(H2,84,105)(H,85,116)(H,86,102)(H,87,110)(H,88,106)(H,89,111)(H,90,108)(H,91,112)(H,92,109)(H,93,107)(H,94,113)(H,95,114)(H,96,117)(H,97,115) |
| InChIKey | DGKRSIOCIYNNHE-UHFFFAOYSA-N |
| Mol Weight | 1685.0 g/mol |
| Molecular Formula | C83H129N17O20 |
| Exact Mass | 1683.95998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KjZQ49B8YDb |
|---|---|
| Name | CEPHAIBOL-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C83H129N17O20 |
| InChI | InChI=1S/C83H129N17O20/c1-20-81(17,97-70(115)78(11,12)95-69(114)77(9,10)94-68(113)76(7,8)90-63(108)56(86-48(6)102)40-50-32-27-24-28-33-50)71(116)85-43-61(106)88-55(38-47(4)5)64(109)92-82(18,21-2)72(117)96-80(15,16)74(119)99-44-52(103)41-58(99)66(111)89-54(35-36-60(84)105)62(107)93-83(19,22-3)75(120)100-45-53(104)42-59(100)67(112)91-79(13,14)73(118)98-37-29-34-57(98)65(110)87-51(46-101)39-49-30-25-23-26-31-49/h23-28,30-33,47,51-59,101,103-104H,20-22,29,34-46H2,1-19H3,(H2,84,105)(H,85,116)(H,86,102)(H,87,110)(H,88,106)(H,89,111)(H,90,108)(H,91,112)(H,92,109)(H,93,107)(H,94,113)(H,95,114)(H,96,117)(H,97,115) |
| InChIKey | DGKRSIOCIYNNHE-UHFFFAOYSA-N |
| Literature Reference Author | M.SCHIELL,J.HOFMANN,M.KURZ,F.R.SCHMIDT,L.VERTESY,M.VOGEL,J.W INK,G.SEIBERT |
| Literature Reference Citation | J.ANTIBIOTICS,54,220(2001) |
| Literature Reference DOI | 10.7164/antibiotics.54.220 |
| Molecular Weight | 1685.039 g/mol |
| Solvent | DMSO |
| Source File Reference | UWSI1436 |