| SpectraBase Compound ID | IzomeNirRPO |
|---|---|
| InChI | InChI=1S/C52H54N6O7/c1-44(2)19-15-25-29(64-44)13-11-27-33-36-50-28-12-14-30-26(16-20-45(3,4)65-30)35(28)58(63)38(50)47(7,8)31-23-48-17-9-21-55(48)42(61)51(31,54-40(48)59)39(50)57-41(60)49-18-10-22-56(49)43(62)52(36,57)32(24-49)46(5,6)37(33)53-34(25)27/h11-16,19-20,31-32,36,39,53H,9-10,17-18,21-24H2,1-8H3,(H,54,59)/t31?,32-,36-,39+,48-,49-,50?,51?,52-/m1/s1 |
| InChIKey | WZHCMAFZIFECCV-ONBBJOFOSA-N |
| Mol Weight | 875.0 g/mol |
| Molecular Formula | C52H54N6O7 |
| Exact Mass | 874.405398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZpZwAhdzLu |
|---|---|
| Name | WAIKIALOID_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H54N6O7 |
| InChI | InChI=1S/C52H54N6O7/c1-44(2)19-15-25-29(64-44)13-11-27-33-36-50-28-12-14-30-26(16-20-45(3,4)65-30)35(28)58(63)38(50)47(7,8)31-23-48-17-9-21-55(48)42(61)51(31,54-40(48)59)39(50)57-41(60)49-18-10-22-56(49)43(62)52(36,57)32(24-49)46(5,6)37(33)53-34(25)27/h11-16,19-20,31-32,36,39,53H,9-10,17-18,21-24H2,1-8H3,(H,54,59)/t31?,32-,36-,39+,48-,49-,50?,51?,52-/m1/s1 |
| InChIKey | WZHCMAFZIFECCV-ONBBJOFOSA-N |
| Literature Reference Author | X.WANG,J.YOU,J.B.KING,D.R.POWELL,R.H.CICHEWICZ |
| Literature Reference Citation | J.NAT.PROD.,75,707(2012) |
| Literature Reference DOI | 10.1021/np2009994 |
| Molecular Weight | 875.037 g/mol |
| Sample ID | 40313 |
| Solvent | CDCl3 |