| SpectraBase Compound ID | 3xCinZGCs3T |
|---|---|
| InChI | InChI=1S/C41H68O15/c1-19-7-10-41(51-18-19)20(2)29-26(56-41)14-23-21-13-25(24-15-40(49-5,50-6)12-11-38(24,3)22(21)8-9-39(23,29)4)52-37-34(48)35(31(45)28(17-43)54-37)55-36-33(47)32(46)30(44)27(16-42)53-36/h19-37,42-48H,7-18H2,1-6H3/t19-,20-,21+,22-,23-,24+,25-,26-,27-,28-,29-,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-,41+/m0/s1 |
| InChIKey | RNWZQKLXCVWMIK-HIRJZYRASA-N |
| Mol Weight | 801.0 g/mol |
| Molecular Formula | C41H68O15 |
| Exact Mass | 800.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I32Vf36Ur0m |
|---|---|
| Name | RNWZQKLXCVWMIK-HIRJZYRASA-N |
| Compound Number | 95 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H68O15 |
| InChI | InChI=1S/C41H68O15/c1-19-7-10-41(51-18-19)20(2)29-26(56-41)14-23-21-13-25(24-15-40(49-5,50-6)12-11-38(24,3)22(21)8-9-39(23,29)4)52-37-34(48)35(31(45)28(17-43)54-37)55-36-33(47)32(46)30(44)27(16-42)53-36/h19-37,42-48H,7-18H2,1-6H3/t19-,20-,21+,22-,23-,24+,25-,26-,27-,28-,29-,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-,41+/m0/s1 |
| InChIKey | RNWZQKLXCVWMIK-HIRJZYRASA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 800.982 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22183 |