| SpectraBase Compound ID | 2jpcGddZmgE |
|---|---|
| InChI | InChI=1S/C50H88N4O13/c1-7-12-13-20-24-28-39(53(49(59)63-10-4)51-47(57)61-8-2)29-26-30-40(54(50(60)64-11-5)52-48(58)62-9-3)42-32-34-44(66-42)45-35-33-43(67-45)41(55)31-25-22-19-17-15-14-16-18-21-23-27-38-36-37(6)65-46(38)56/h36-37,39-45,55H,7-35H2,1-6H3,(H,51,57)(H,52,58)/t37-,39-,40+,41+,42+,43-,44+,45-/m0/s1 |
| InChIKey | HMQKNHSZZMBJGE-CWVFABCWSA-N |
| Mol Weight | 953.3 g/mol |
| Molecular Formula | C50H88N4O13 |
| Exact Mass | 952.634789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mdYKpHKdIG |
|---|---|
| Name | HMQKNHSZZMBJGE-CWVFABCWSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H88N4O13 |
| InChI | InChI=1S/C50H88N4O13/c1-7-12-13-20-24-28-39(53(49(59)63-10-4)51-47(57)61-8-2)29-26-30-40(54(50(60)64-11-5)52-48(58)62-9-3)42-32-34-44(66-42)45-35-33-43(67-45)41(55)31-25-22-19-17-15-14-16-18-21-23-27-38-36-37(6)65-46(38)56/h36-37,39-45,55H,7-35H2,1-6H3,(H,51,57)(H,52,58)/t37-,39-,40+,41+,42+,43-,44+,45-/m0/s1 |
| InChIKey | HMQKNHSZZMBJGE-CWVFABCWSA-N |
| Literature Reference Author | S.DERBRE,E.POUPON,C.GLEYE,R.HOCQUEMILLER |
| Literature Reference Citation | J.NAT.PROD.,70,300(2007) |
| Literature Reference DOI | 10.1021/np060376b |
| Molecular Weight | 953.268 g/mol |
| Sample ID | 29691 |
| Solvent | CDCl3 |