| SpectraBase Compound ID | Cmc7Er6yufU |
|---|---|
| InChI | InChI=1S/C57H86N12O16/c1-8-11-12-13-14-15-16-17-18-19-38(73)28-45(75)62-39(9-2)52(79)68-48-34(6)85-57(84)43(27-36-29-59-31-61-36)66-56(83)49(33(5)71)69(7)46(76)30-60-50(77)41(24-25-44(58)74)64-51(78)40(10-3)63-53(80)42(26-35-20-22-37(72)23-21-35)65-54(81)47(32(4)70)67-55(48)82/h9-10,20-23,29,31-34,38,41-43,47-49,70-73H,8,11-19,24-28,30H2,1-7H3,(H2,58,74)(H,59,61)(H,60,77)(H,62,75)(H,63,80)(H,64,78)(H,65,81)(H,66,83)(H,67,82)(H,68,79)/b39-9-,40-10-/t32-,33+,34-,38-,41-,42+,43+,47-,48+,49+/m0/s1 |
| InChIKey | WRRXLNFHXIMOFU-BYKDKLDASA-N |
| Mol Weight | 1195.4 g/mol |
| Molecular Formula | C57H86N12O16 |
| Exact Mass | 1194.628475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcM3ERMz3cc |
|---|---|
| Name | SCH-20561 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H86N12O16 |
| InChI | InChI=1S/C57H86N12O16/c1-8-11-12-13-14-15-16-17-18-19-38(73)28-45(75)62-39(9-2)52(79)68-48-34(6)85-57(84)43(27-36-29-59-31-61-36)66-56(83)49(33(5)71)69(7)46(76)30-60-50(77)41(24-25-44(58)74)64-51(78)40(10-3)63-53(80)42(26-35-20-22-37(72)23-21-35)65-54(81)47(32(4)70)67-55(48)82/h9-10,20-23,29,31-34,38,41-43,47-49,70-73H,8,11-19,24-28,30H2,1-7H3,(H2,58,74)(H,59,61)(H,60,77)(H,62,75)(H,63,80)(H,64,78)(H,65,81)(H,66,83)(H,67,82)(H,68,79)/b39-9-,40-10-/t32-,33+,34-,38-,41-,42+,43+,47-,48+,49+/m0/s1 |
| InChIKey | WRRXLNFHXIMOFU-BYKDKLDASA-N |
| Literature Reference Author | A.AFONSO,F.HON,R.BRAMBILLA,M.S.PUAR |
| Literature Reference Citation | J.ANTIBIOTICS,52,398(1999) |
| Literature Reference DOI | 10.7164/antibiotics.52.398 |
| Molecular Weight | 1195.381 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRU1969 |