| SpectraBase Compound ID | KJLOLL8bZH6 |
|---|---|
| InChI | InChI=1S/C49H84N2O16/c1-10-60-49(59)51-34(3)42(62-37(6)54)30-26-23-19-21-25-29-41(58)28-24-20-17-15-13-11-12-14-16-18-22-27-31-43(33(2)50-35(4)52)66-48-47(65-40(9)57)46(64-39(8)56)45(63-38(7)55)44(67-48)32-61-36(5)53/h33-34,42-48H,10-32H2,1-9H3,(H,50,52)(H,51,59)/t33-,34-,42+,43-,44+,45-,46-,47+,48+/m0/s1 |
| InChIKey | JJUVETFQYCLAJX-RQMLGWQMSA-N |
| Mol Weight | 957.2 g/mol |
| Molecular Formula | C49H84N2O16 |
| Exact Mass | 956.582085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K61qh0Ca5w1 |
|---|---|
| Name | RHIZOCHALIN-A_PERACETATE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H84N2O16 |
| InChI | InChI=1S/C49H84N2O16/c1-10-60-49(59)51-34(3)42(62-37(6)54)30-26-23-19-21-25-29-41(58)28-24-20-17-15-13-11-12-14-16-18-22-27-31-43(33(2)50-35(4)52)66-48-47(65-40(9)57)46(64-39(8)56)45(63-38(7)55)44(67-48)32-61-36(5)53/h33-34,42-48H,10-32H2,1-9H3,(H,50,52)(H,51,59)/t33-,34-,42+,43-,44+,45-,46-,47+,48+/m0/s1 |
| InChIKey | JJUVETFQYCLAJX-RQMLGWQMSA-N |
| Literature Reference Author | T.N.MAKARIEVA,A.G.GUZII,V.A.DENISENKO,P.S.DMITRENOK,E.A.SANT ALOVA,E.V.POKANEVICH |
| Literature Reference Citation | J.NAT.PROD.,68,255(2005) |
| Literature Reference DOI | 10.1021/np049710z |
| Molecular Weight | 957.210 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ8843 |