| SpectraBase Compound ID | 2HelWKb9Yn2 |
|---|---|
| InChI | InChI=1S/C78H91ClN10O29/c1-28(2)17-41(89(7)57-60(97)62(99)65(57)110-8)70(103)87-55-58(95)33-12-16-44(39(79)19-33)114-46-21-34-20-45(64(46)118-76-66(61(98)59(96)47(27-90)115-76)117-50-26-78(6,82)68(101)30(4)112-50)113-36-13-9-31(10-14-36)63(116-49-25-77(5,81)67(100)29(3)111-49)56-74(107)86-54(75(108)109)38-22-35(91)23-43(93)51(38)37-18-32(11-15-42(37)92)52(71(104)88-56)85-72(105)53(34)84-69(102)40(24-48(80)94)83-73(55)106/h9-16,18-23,28-30,40-41,47,49-50,52-56,58-59,61,63,66-68,76,90-93,95-96,98,100-101H,17,24-27,81-82H2,1-8H3,(H2,80,94)(H,83,106)(H,84,102)(H,85,105)(H,86,107)(H,87,103)(H,88,104)(H,108,109)/t29-,30-,40+,41-,47+,49-,50-,52-,53-,54-,55-,56+,58-,59+,61-,63-,66+,67-,68-,76-,77-,78-/m1/s1 |
| InChIKey | IACTVLVADZHBNP-HOKGPZSSSA-N |
| Mol Weight | 1668.1 g/mol |
| Molecular Formula | C78H91ClN10O29 |
| Exact Mass | 1666.564195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EI2AdtMZGWe |
|---|---|
| Name | IACTVLVADZHBNP-HOKGPZSSSA-N |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H91ClN10O29 |
| InChI | InChI=1S/C78H91ClN10O29/c1-28(2)17-41(89(7)57-60(97)62(99)65(57)110-8)70(103)87-55-58(95)33-12-16-44(39(79)19-33)114-46-21-34-20-45(64(46)118-76-66(61(98)59(96)47(27-90)115-76)117-50-26-78(6,82)68(101)30(4)112-50)113-36-13-9-31(10-14-36)63(116-49-25-77(5,81)67(100)29(3)111-49)56-74(107)86-54(75(108)109)38-22-35(91)23-43(93)51(38)37-18-32(11-15-42(37)92)52(71(104)88-56)85-72(105)53(34)84-69(102)40(24-48(80)94)83-73(55)106/h9-16,18-23,28-30,40-41,47,49-50,52-56,58-59,61,63,66-68,76,90-93,95-96,98,100-101H,17,24-27,81-82H2,1-8H3,(H2,80,94)(H,83,106)(H,84,102)(H,85,105)(H,86,107)(H,87,103)(H,88,104)(H,108,109)/t29-,30-,40+,41-,47+,49-,50-,52-,53-,54-,55-,56+,58-,59+,61-,63-,66+,67-,68-,76-,77-,78-/m1/s1 |
| InChIKey | IACTVLVADZHBNP-HOKGPZSSSA-N |
| Literature Reference Author | F.SZTARIESKAI,G.BATTA,P.HERCZEGH,A.BALAZS,J.JEKO,E.ROTH,P.T. SZABO,S.KARDOS,F.ROZ |
| Literature Reference Citation | J.ANTIBIOTICS,59,564(2006) |
| Literature Reference DOI | 10.1038/ja.2006.77 |
| Molecular Weight | 1668.083 g/mol |
| Solvent | - |
| Source File Reference | UWIR13623 |