| SpectraBase Compound ID | 5ZhGrIVAtVE |
|---|---|
| InChI | InChI=1S/C51H66O8/c1-48(2)25-16-26-49(3)43(48)23-27-50(4)44(49)24-28-51(5,59-36-56-33-39-21-14-9-15-22-39)47(50)45(52)41-29-40(57-34-54-31-37-17-10-7-11-18-37)30-42(53-6)46(41)58-35-55-32-38-19-12-8-13-20-38/h7-15,17-22,29-30,43-45,47,52H,16,23-28,31-36H2,1-6H3/t43?,44?,45?,47-,49-,50+,51-/m0/s1 |
| InChIKey | PAMVLGJISQIGDS-CKEVAOJHSA-N |
| Mol Weight | 807.1 g/mol |
| Molecular Formula | C51H66O8 |
| Exact Mass | 806.475769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cHbzN19KIj |
|---|---|
| Name | PAMVLGJISQIGDS-CKEVAOJHSA-N |
| Compound Number | 18A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H66O8 |
| InChI | InChI=1S/C51H66O8/c1-48(2)25-16-26-49(3)43(48)23-27-50(4)44(49)24-28-51(5,59-36-56-33-39-21-14-9-15-22-39)47(50)45(52)41-29-40(57-34-54-31-37-17-10-7-11-18-37)30-42(53-6)46(41)58-35-55-32-38-19-12-8-13-20-38/h7-15,17-22,29-30,43-45,47,52H,16,23-28,31-36H2,1-6H3/t43?,44?,45?,47-,49-,50+,51-/m0/s1 |
| InChIKey | PAMVLGJISQIGDS-CKEVAOJHSA-N |
| Literature Reference Author | K.WARABI,B.O.PATRICK,P.AUSTIN,C.D.ROSKELLY,M.ROBERGE,R.J.AND ERSEN |
| Literature Reference Citation | J.NAT.PROD.,70,736(2007) |
| Literature Reference DOI | 10.1021/np060481l |
| Molecular Weight | 807.080 g/mol |
| Sample ID | 30213 |
| Solvent | C6D6 |