| SpectraBase Compound ID | C96e2XfHSAj |
|---|---|
| InChI | InChI=1S/C42H66O15/c1-37(2)13-14-41(35(50)51)15-16-42(36(52)53)20(21(41)17-37)7-8-25-39(5)11-10-26(38(3,4)24(39)9-12-40(25,42)6)56-34-32(30(48)28(46)23(19-44)55-34)57-33-31(49)29(47)27(45)22(18-43)54-33/h17,20,22-34,43-49H,7-16,18-19H2,1-6H3,(H,50,51)(H,52,53)/t20?,22-,23-,24?,25?,26?,27-,28-,29+,30+,31-,32-,33+,34+,39+,40-,41+,42-/m1/s1 |
| InChIKey | DCOKGOZICOCBAO-NUSBPLNPSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C42H66O15 |
| Exact Mass | 810.440171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BFLKZfMjeI |
|---|---|
| Name | PHELASIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O15 |
| InChI | InChI=1S/C42H66O15/c1-37(2)13-14-41(35(50)51)15-16-42(36(52)53)20(21(41)17-37)7-8-25-39(5)11-10-26(38(3,4)24(39)9-12-40(25,42)6)56-34-32(30(48)28(46)23(19-44)55-34)57-33-31(49)29(47)27(45)22(18-43)54-33/h17,20,22-34,43-49H,7-16,18-19H2,1-6H3,(H,50,51)(H,52,53)/t20?,22-,23-,24?,25?,26?,27-,28-,29+,30+,31-,32-,33+,34+,39+,40-,41+,42-/m1/s1 |
| InChIKey | DCOKGOZICOCBAO-NUSBPLNPSA-N |
| Literature Reference Author | N.P.SAHU,K.KOIKE,Z.JIA,B.ACHARI,S.BANERJEE,T.NIKAIDO |
| Literature Reference Citation | MAGN.RES.CHEM.,37,837(1999) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199911)37:11<837::aid-mrc567>3.3.co;2-p |
| Molecular Weight | 810.977 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWGE5196 |