| SpectraBase Compound ID | BqCPxWPUDi2 |
|---|---|
| InChI | InChI=1S/C54H68O6/c1-52-21-18-29-28-10-14-44(55)49(35(28)8-6-33(29)42(52)12-16-46(52)57)50-36-9-7-34-31(20-23-54(3)43(34)13-17-48(54)59)38(36)26-40(51(50)60)39-25-37-27(24-45(39)56)4-5-32-30(37)19-22-53(2)41(32)11-15-47(53)58/h10,14,24-26,29-34,41-43,46-48,55-60H,4-9,11-13,15-23H2,1-3H3/t29-,30-,31+,32+,33-,34-,41-,42+,43+,46+,47-,48+,52+,53-,54+/m1/s1 |
| InChIKey | CIJOEMWJIYJDTN-OAYZFUSOSA-N |
| Mol Weight | 813.1 g/mol |
| Molecular Formula | C54H68O6 |
| Exact Mass | 812.50159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5s1x1inWviy |
|---|---|
| Name | CIJOEMWJIYJDTN-OAYZFUSOSA-N |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H68O6 |
| InChI | InChI=1S/C54H68O6/c1-52-21-18-29-28-10-14-44(55)49(35(28)8-6-33(29)42(52)12-16-46(52)57)50-36-9-7-34-31(20-23-54(3)43(34)13-17-48(54)59)38(36)26-40(51(50)60)39-25-37-27(24-45(39)56)4-5-32-30(37)19-22-53(2)41(32)11-15-47(53)58/h10,14,24-26,29-34,41-43,46-48,55-60H,4-9,11-13,15-23H2,1-3H3/t29-,30-,31+,32+,33-,34-,41-,42+,43+,46+,47-,48+,52+,53-,54+/m1/s1 |
| InChIKey | CIJOEMWJIYJDTN-OAYZFUSOSA-N |
| Literature Reference Author | A.PEZZELLA,L.LISTA,A.NAPOLITANO,M.DISCHIA |
| Literature Reference Citation | J.ORG.CHEM.,69,5652(2004) |
| Literature Reference DOI | 10.1021/jo0492665 |
| Molecular Weight | 813.130 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN22308 |