| SpectraBase Compound ID | 6cdYBcvyp1f |
|---|---|
| InChI | InChI=1S/C56H95ClN12O16/c1-11-34(57)22-19-17-15-13-14-16-18-21-30(5)43-47(75)54(82)64-42(29(3)4)51(79)61-35(12-2)49(77)66-45(32(7)71)53(81)67-44(31(6)70)52(80)62-36(24-25-39(58)72)48(76)60-28-41(74)63-46(33(8)85-10)56(84)68(9)38(27-40(59)73)55(83)69-26-20-23-37(69)50(78)65-43/h12,29-34,36-38,42-47,70-71,75H,11,13-28H2,1-10H3,(H2,58,72)(H2,59,73)(H,60,76)(H,61,79)(H,62,80)(H,63,74)(H,64,82)(H,65,78)(H,66,77)(H,67,81)/b35-12- |
| InChIKey | LLZGZWBVBWCMRA-OHLKXVFMSA-N |
| Mol Weight | 1227.9 g/mol |
| Molecular Formula | C56H95ClN12O16 |
| Exact Mass | 1226.667753 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3cMShT3Ixbo |
|---|---|
| Name | PUWAINAPHYCIN-C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H95ClN12O16 |
| InChI | InChI=1S/C56H95ClN12O16/c1-11-34(57)22-19-17-15-13-14-16-18-21-30(5)43-47(75)54(82)64-42(29(3)4)51(79)61-35(12-2)49(77)66-45(32(7)71)53(81)67-44(31(6)70)52(80)62-36(24-25-39(58)72)48(76)60-28-41(74)63-46(33(8)85-10)56(84)68(9)38(27-40(59)73)55(83)69-26-20-23-37(69)50(78)65-43/h12,29-34,36-38,42-47,70-71,75H,11,13-28H2,1-10H3,(H2,58,72)(H2,59,73)(H,60,76)(H,61,79)(H,62,80)(H,63,74)(H,64,82)(H,65,78)(H,66,77)(H,67,81)/b35-12- |
| InChIKey | LLZGZWBVBWCMRA-OHLKXVFMSA-N |
| Literature Reference Author | R.E.MOORE,V.BORNEMANN,W.P.NIEMCZURA,J.M.GREGSON,J.L.CHEN,T.R .NORTON,G.M.L.PATTER |
| Literature Reference Citation | J.AM.CHEM.SOC.,111,6128(1989) |
| Literature Reference DOI | 10.1021/ja00198a021 |
| Molecular Weight | 1227.894 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWED15195 |