| SpectraBase Compound ID | C5hthLgwh8M |
|---|---|
| InChI | InChI=1S/C53H74O11/c1-38(2)25-17-15-13-11-12-14-16-18-36-48(56)63-50-49(62-46(10)55)47(61-45(9)54)37-60-53(50)64-52(59)44(8)35-24-33-42(6)31-22-29-40(4)27-20-19-26-39(3)28-21-30-41(5)32-23-34-43(7)51(57)58/h19-24,26-35,38,47,49-50,53H,11-18,25,36-37H2,1-10H3,(H,57,58)/b20-19+,28-21+,29-22+,32-23+,33-24+,39-26+,40-27+,41-30+,42-31+,43-34+,44-35+/t47-,49+,50-,53+/m1/s1 |
| InChIKey | CAOCCGAVKIXPQK-CIIOPXNJSA-N |
| Mol Weight | 887.2 g/mol |
| Molecular Formula | C53H74O11 |
| Exact Mass | 886.523113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7eeRxH7cohW |
|---|---|
| Name | DIACETYL-DIAPOLYCOPENEDIOIC-ACID-XYLOSYL-ESTER_A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H74O11 |
| InChI | InChI=1S/C53H74O11/c1-38(2)25-17-15-13-11-12-14-16-18-36-48(56)63-50-49(62-46(10)55)47(61-45(9)54)37-60-53(50)64-52(59)44(8)35-24-33-42(6)31-22-29-40(4)27-20-19-26-39(3)28-21-30-41(5)32-23-34-43(7)51(57)58/h19-24,26-35,38,47,49-50,53H,11-18,25,36-37H2,1-10H3,(H,57,58)/b20-19+,28-21+,29-22+,32-23+,33-24+,39-26+,40-27+,41-30+,42-31+,43-34+,44-35+/t47-,49+,50-,53+/m1/s1 |
| InChIKey | CAOCCGAVKIXPQK-CIIOPXNJSA-N |
| Literature Reference Author | K.SHINDO,E.ASAGI,A.SANO,E.HOTTA,N.MINEMURA,K.MIKAMI,E.TAMESA DA,N.MISAWA,T.MAOKA |
| Literature Reference Citation | J.ANTIBIOTICS,61,189(2008) |
| Molecular Weight | 887.164 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB351 |