| SpectraBase Compound ID | HkF1rUuG0Jp |
|---|---|
| InChI | InChI=1S/C40H68N4O17/c1-4-20(2)13-11-9-7-5-6-8-10-12-14-22(47)17-27(50)42-29-33(54)30(51)24(58-39(29)61-38-28(41-21(3)46)32(53)31(52)25(19-45)59-38)18-23(48)36-34(55)35(56)37(60-36)44-16-15-26(49)43-40(44)57/h15-16,20,22-25,28-39,45,47-48,51-56H,4-14,17-19H2,1-3H3,(H,41,46)(H,42,50)(H,43,49,57)/t20?,22?,23?,24-,25+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-/m1/s1 |
| InChIKey | DFSIRIGCTBKPHD-YMLCLOCLSA-N |
| Mol Weight | 877.0 g/mol |
| Molecular Formula | C40H68N4O17 |
| Exact Mass | 876.457947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtpSr4kSJ8d |
|---|---|
| Name | CORYNETOXIN-H-17A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68N4O17 |
| InChI | InChI=1S/C40H68N4O17/c1-4-20(2)13-11-9-7-5-6-8-10-12-14-22(47)17-27(50)42-29-33(54)30(51)24(58-39(29)61-38-28(41-21(3)46)32(53)31(52)25(19-45)59-38)18-23(48)36-34(55)35(56)37(60-36)44-16-15-26(49)43-40(44)57/h15-16,20,22-25,28-39,45,47-48,51-56H,4-14,17-19H2,1-3H3,(H,41,46)(H,42,50)(H,43,49,57)/t20?,22?,23?,24-,25+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-/m1/s1 |
| InChIKey | DFSIRIGCTBKPHD-YMLCLOCLSA-N |
| Literature Reference Author | J.L.FRAHN,J.A.EDGAR,A.J.JONES,P.A.COCKRUM,N.ANDERTON,C.C.J.C ULVENOR |
| Literature Reference Citation | AUSTR.J.CHEM.,37,165(1984) |
| Literature Reference DOI | 10.1071/ch9840165 |
| Molecular Weight | 876.997 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS9725 |