| SpectraBase Compound ID | 6GHrSPdqErT |
|---|---|
| InChI | InChI=1S/C53H87N5O22/c1-27(2)18-16-14-12-10-11-13-15-17-19-30(75-34(60)22-28(3)23-35(61)78-52-47(73-9)46(72-8)43(71-7)29(4)74-52)24-36(62)76-32-26-56(5)38(48(67)57(6)37(32)50(68)69)44(80-51-42(66)39(63)31(25-54)77-51)45-40(64)41(65)49(79-45)58-21-20-33(59)55-53(58)70/h20-21,27-32,37-47,49,51-52,63-66H,10-19,22-26,54H2,1-9H3,(H,68,69)(H,55,59,70)/t28-,29-,30+,31+,32+,37+,38+,39+,40-,41+,42+,43-,44+,45-,46+,47+,49+,51-,52-/m0/s1 |
| InChIKey | IDKBSYZJTHLMLI-UBTASBIESA-N |
| Mol Weight | 1146.3 g/mol |
| Molecular Formula | C53H87N5O22 |
| Exact Mass | 1145.584269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 24xX0LCwxmb |
|---|---|
| Name | CAPRAZAMYCIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H87N5O22 |
| InChI | InChI=1S/C53H87N5O22/c1-27(2)18-16-14-12-10-11-13-15-17-19-30(75-34(60)22-28(3)23-35(61)78-52-47(73-9)46(72-8)43(71-7)29(4)74-52)24-36(62)76-32-26-56(5)38(48(67)57(6)37(32)50(68)69)44(80-51-42(66)39(63)31(25-54)77-51)45-40(64)41(65)49(79-45)58-21-20-33(59)55-53(58)70/h20-21,27-32,37-47,49,51-52,63-66H,10-19,22-26,54H2,1-9H3,(H,68,69)(H,55,59,70)/t28-,29-,30+,31+,32+,37+,38+,39+,40-,41+,42+,43-,44+,45-,46+,47+,49+,51-,52-/m0/s1 |
| InChIKey | IDKBSYZJTHLMLI-UBTASBIESA-N |
| Literature Reference Author | M.IGARASHI,Y.TAKAHASHI,T.SHITARA,H.NAKAMURA,H.NAGANAWA,T.MIY AKE,Y.AKAMATSU |
| Literature Reference Citation | J.ANTIBIOTICS,58,327(2005) |
| Literature Reference DOI | 10.1038/ja.2005.41 |
| Molecular Weight | 1146.294 g/mol |
| Sample ID | 51 |
| Solvent | DMSO-D6:C5D5N |