| SpectraBase Compound ID | AgTzISd4bIA |
|---|---|
| InChI | InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13-,18-15-/t24-,25+,26+,27-,28+,29-,30-,34-,35+,36+,37+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | VYWWNRMSAPEJLS-CKBGTMHDSA-N |
| Mol Weight | 828.0 g/mol |
| Molecular Formula | C42H69NO15 |
| Exact Mass | 827.466721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iO5FehAta5 |
|---|---|
| Name | ROKITAMYCIN;RK |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H69NO15 |
| InChI | InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13-,18-15-/t24-,25+,26+,27-,28+,29-,30-,34-,35+,36+,37+,38+,39-,40-,41-,42+/m1/s1 |
| InChIKey | VYWWNRMSAPEJLS-CKBGTMHDSA-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 | 828.008 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19331 |