| SpectraBase Compound ID | 973xVaGzt4v |
|---|---|
| InChI | InChI=1S/2C42H71NO16/c2*1-11-16-32(49)56-40-26(6)54-34(22-42(40,7)59-31(48)12-2)57-37-25(5)55-41(36(51)35(37)43(8)9)58-38-27(20-30(46)47)19-23(3)28(44)18-15-13-14-17-24(4)53-33(50)21-29(45)39(38)52-10/h2*13-15,18,23-30,34-41,44-47,51H,11-12,16-17,19-22H2,1-10H3/b2*14-13-,18-15-/t2*23-,24+,25-,26+,27-,28-,29-,34+,35-,36-,37-,38+,39-,40+,41+,42-/m00/s1 |
| InChIKey | ZPPHXKQEQOWAJF-VVSLEMCJSA-N |
| Mol Weight | 1692.0 g/mol |
| Molecular Formula | C84H142N2O32 |
| Exact Mass | 1690.95457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8yhaclBa5h4 |
|---|---|
| Name | ROKITAMYCIN;RK |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C84H142N2O32 |
| InChI | InChI=1S/2C42H71NO16/c2*1-11-16-32(49)56-40-26(6)54-34(22-42(40,7)59-31(48)12-2)57-37-25(5)55-41(36(51)35(37)43(8)9)58-38-27(20-30(46)47)19-23(3)28(44)18-15-13-14-17-24(4)53-33(50)21-29(45)39(38)52-10/h2*13-15,18,23-30,34-41,44-47,51H,11-12,16-17,19-22H2,1-10H3/b2*14-13-,18-15-/t2*23-,24+,25-,26+,27-,28-,29-,34+,35-,36-,37-,38+,39-,40+,41+,42-/m00/s1 |
| InChIKey | ZPPHXKQEQOWAJF-VVSLEMCJSA-N |
| Literature Reference Author | N.MORISAKI,S.IWASAKI,K.FURIHATA,K.YAZAWA,Y.MIKAMI |
| Literature Reference Citation | MAGN.RES.CHEM.,33,481(1995) |
| Literature Reference DOI | 10.1002/mrc.1260330613 |
| Molecular Weight | 1692.046 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS19332 |