| SpectraBase Compound ID | KXSz7o8ZTwE |
|---|---|
| InChI | InChI=1S/C47H73NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-36(49)57-46-29-35(54-5)45(51)28-33(37(46)42(45)56-43(50)32-23-20-19-21-24-32)47-34(53-4)26-27-44(31-52-3)30-48(2)41(47)38(46)39(55-6)40(44)47/h19-21,23-24,33-35,37-42,51H,7-18,22,25-31H2,1-6H3/t33-,34+,35+,37-,38?,39?,40-,41?,42-,44+,45+,46-,47+/m1/s1 |
| InChIKey | SWIRNXCGPWWORI-JAOZMTRUSA-N |
| Mol Weight | 796.1 g/mol |
| Molecular Formula | C47H73NO9 |
| Exact Mass | 795.528533 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ago1Xq0AGVr |
|---|---|
| Name | 14-BENZOYLDELPHONINE-8-PALMITATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H73NO9 |
| InChI | InChI=1S/C47H73NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-25-36(49)57-46-29-35(54-5)45(51)28-33(37(46)42(45)56-43(50)32-23-20-19-21-24-32)47-34(53-4)26-27-44(31-52-3)30-48(2)41(47)38(46)39(55-6)40(44)47/h19-21,23-24,33-35,37-42,51H,7-18,22,25-31H2,1-6H3/t33-,34+,35+,37-,38?,39?,40-,41?,42-,44+,45+,46-,47+/m1/s1 |
| InChIKey | SWIRNXCGPWWORI-JAOZMTRUSA-N |
| Literature Reference Author | Y.BAI,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,57,963(1994) |
| Literature Reference DOI | 10.1021/np50109a013 |
| Molecular Weight | 796.098 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1494 |