| SpectraBase Compound ID | K9v9lMIWvET |
|---|---|
| InChI | InChI=1S/C61H94O24/c1-14-27(3)50(73)81-44-29(5)77-54(43(72)45(44)82-51(74)28(4)15-2)85-48-49(78-30(6)65)61(26-64)32(22-56(48,7)8)31-16-17-35-57(9)20-19-37(58(10,25-63)34(57)18-21-59(35,11)60(31,12)23-36(61)66)80-55-47(41(70)40(69)46(83-55)52(75)76-13)84-53-42(71)39(68)38(67)33(24-62)79-53/h14-16,29,32-49,53-55,62-64,66-72H,17-26H2,1-13H3/b27-14-,28-15-/t29-,32?,33-,34?,35?,36-,37+,38-,39+,40+,41+,42-,43-,44+,45-,46+,47-,48+,49+,53+,54?,55-,57+,58-,59-,60-,61+/m1/s1 |
| InChIKey | UWHLXQWIIKFBEF-JMQYNRIFSA-N |
| Mol Weight | 1211.4 g/mol |
| Molecular Formula | C61H94O24 |
| Exact Mass | 1210.613504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWK6OGsfUKM |
|---|---|
| Name | M-B1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H94O24 |
| InChI | InChI=1S/C61H94O24/c1-14-27(3)50(73)81-44-29(5)77-54(43(72)45(44)82-51(74)28(4)15-2)85-48-49(78-30(6)65)61(26-64)32(22-56(48,7)8)31-16-17-35-57(9)20-19-37(58(10,25-63)34(57)18-21-59(35,11)60(31,12)23-36(61)66)80-55-47(41(70)40(69)46(83-55)52(75)76-13)84-53-42(71)39(68)38(67)33(24-62)79-53/h14-16,29,32-49,53-55,62-64,66-72H,17-26H2,1-13H3/b27-14-,28-15-/t29-,32?,33-,34?,35?,36-,37+,38-,39+,40+,41+,42-,43-,44+,45-,46+,47-,48+,49+,53+,54?,55-,57+,58-,59-,60-,61+/m1/s1 |
| InChIKey | UWHLXQWIIKFBEF-JMQYNRIFSA-N |
| Literature Reference Author | Y.CHEN,T.TAKEDA,Y.OGIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,1387(1985) |
| Literature Reference DOI | 10.1248/cpb.33.1387 |
| Molecular Weight | 1211.403 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK492 |