| SpectraBase Compound ID | 6K1vpxF88Wc |
|---|---|
| InChI | InChI=1S/C42H56ClN5O8/c1-9-26(4)36-38(50)45-33(22-30-17-19-31(20-18-30)55-24-32(43)25(2)3)40(52)46(7)28(6)42(54)56-35(23-29-14-11-10-12-15-29)41(53)48-21-13-16-34(48)37(49)44-27(5)39(51)47(36)8/h10-12,14-15,17-20,26-28,32-36H,2,9,13,16,21-24H2,1,3-8H3,(H,44,49)(H,45,50)/t26-,27-,28-,32?,33-,34-,35?,36-/m0/s1 |
| InChIKey | SZYOCGIGPJCRMS-ZQHAJLHQSA-N |
| Mol Weight | 794.4 g/mol |
| Molecular Formula | C42H56ClN5O8 |
| Exact Mass | 793.381741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOCHoK5Pf8M |
|---|---|
| Name | 2'-CHLORO-PULLULARIN-E |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H56ClN5O8 |
| InChI | InChI=1S/C42H56ClN5O8/c1-9-26(4)36-38(50)45-33(22-30-17-19-31(20-18-30)55-24-32(43)25(2)3)40(52)46(7)28(6)42(54)56-35(23-29-14-11-10-12-15-29)41(53)48-21-13-16-34(48)37(49)44-27(5)39(51)47(36)8/h10-12,14-15,17-20,26-28,32-36H,2,9,13,16,21-24H2,1,3-8H3,(H,44,49)(H,45,50)/t26-,27-,28-,32?,33-,34-,35?,36-/m0/s1 |
| InChIKey | SZYOCGIGPJCRMS-ZQHAJLHQSA-N |
| Literature Reference Author | W.EBRAHIM,J.KJER,M.E.AMRANI,V.WRAY,W.LIN,R.EBEL,D.LAI,P.PROK SCH |
| Literature Reference Citation | MAR.DRUGS,10,1081(2012) |
| Literature Reference DOI | 10.3390/md10051081 |
| Molecular Weight | 794.388 g/mol |
| Source File Reference | UWIR5814 |