| SpectraBase Compound ID | JqGTQIWoSR |
|---|---|
| InChI | InChI=1S/C52H54N6O9/c1-43(2)19-15-25-29(66-43)13-11-27-33(25)57(64)36-45(5,6)31-23-47-17-9-21-54(47)41(61)50(31,53-39(47)59)38-49(27,36)35-51-32(24-48(40(60)56(38)51)18-10-22-55(48)42(51)62)46(7,8)37-52(35,63)28-12-14-30-26(34(28)58(37)65)16-20-44(3,4)67-30/h11-16,19-20,31-32,35,38,63H,9-10,17-18,21-24H2,1-8H3,(H,53,59)/t31?,32-,35+,38-,47+,48+,49?,50?,51+,52-/m0/s1 |
| InChIKey | WMVPIWNYGIBPQV-KSUGLYHCSA-N |
| Mol Weight | 907.0 g/mol |
| Molecular Formula | C52H54N6O9 |
| Exact Mass | 906.395227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4scSeyTOATf |
|---|---|
| Name | WAIKIALOID_B |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H54N6O9 |
| InChI | InChI=1S/C52H54N6O9/c1-43(2)19-15-25-29(66-43)13-11-27-33(25)57(64)36-45(5,6)31-23-47-17-9-21-54(47)41(61)50(31,53-39(47)59)38-49(27,36)35-51-32(24-48(40(60)56(38)51)18-10-22-55(48)42(51)62)46(7,8)37-52(35,63)28-12-14-30-26(34(28)58(37)65)16-20-44(3,4)67-30/h11-16,19-20,31-32,35,38,63H,9-10,17-18,21-24H2,1-8H3,(H,53,59)/t31?,32-,35+,38-,47+,48+,49?,50?,51+,52-/m0/s1 |
| InChIKey | WMVPIWNYGIBPQV-KSUGLYHCSA-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 | 907.036 g/mol |
| Sample ID | 40314 |
| Solvent | CDCl3 |