| SpectraBase Compound ID | 5Vry68iz6H1 |
|---|---|
| InChI | InChI=1S/C49H82O19/c1-22-31(54)33(56)37(60)42(64-22)68-39-27(19-63-41-36(59)34(57)32(55)26(18-50)65-41)66-43(38(61)35(39)58)67-30-10-11-45(4)28(46(30,5)20-51)9-12-47(6)40(45)25(62-8)15-23-24-16-44(2,3)13-14-49(24,21-52)29(53)17-48(23,47)7/h15,22,24-43,50-61H,9-14,16-21H2,1-8H3/t22-,24?,25-,26-,27-,28?,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-,40?,41-,42-,43+,45+,46+,47-,48-,49-/m1/s1 |
| InChIKey | XMESCLTTYDRTKB-JIHMGEHQSA-N |
| Mol Weight | 975.2 g/mol |
| Molecular Formula | C49H82O19 |
| Exact Mass | 974.54503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8QxwJM2cZX7 |
|---|---|
| Name | XMESCLTTYDRTKB-JIHMGEHQSA-N |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H82O19 |
| InChI | InChI=1S/C49H82O19/c1-22-31(54)33(56)37(60)42(64-22)68-39-27(19-63-41-36(59)34(57)32(55)26(18-50)65-41)66-43(38(61)35(39)58)67-30-10-11-45(4)28(46(30,5)20-51)9-12-47(6)40(45)25(62-8)15-23-24-16-44(2,3)13-14-49(24,21-52)29(53)17-48(23,47)7/h15,22,24-43,50-61H,9-14,16-21H2,1-8H3/t22-,24?,25-,26-,27-,28?,29+,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-,40?,41-,42-,43+,45+,46+,47-,48-,49-/m1/s1 |
| InChIKey | XMESCLTTYDRTKB-JIHMGEHQSA-N |
| Literature Reference Author | J.-K.DING,H.FUJINO,R.KASAI,N.FUJIMOTO,O.TANAKA,J.ZHOU,H.MATS UURA,T.FUWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,34,1158(1986) |
| Literature Reference DOI | 10.1248/cpb.34.1158 |
| Molecular Weight | 975.179 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK178 |