| SpectraBase Compound ID | KhM48qRWVFV |
|---|---|
| InChI | InChI=1S/C49H76O19/c1-22-29(52)31(54)33(56)40(63-22)66-36-35(58)37(39(59)62-8)67-42(38(36)68-41-34(57)32(55)30(53)25(20-50)64-41)65-28-12-13-45(4)26(46(28,5)21-51)11-14-48(7)27(45)10-9-23-24-19-44(2,3)15-17-49(24,43(60)61)18-16-47(23,48)6/h9,21-22,24-38,40-42,50,52-58H,10-20H2,1-8H3,(H,60,61)/t22-,24?,25-,26?,27?,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38+,40-,41+,42+,45+,46+,47-,48-,49?/m1/s1 |
| InChIKey | BMKCXYLQIHKVJE-XKQUSRMNSA-N |
| Mol Weight | 969.1 g/mol |
| Molecular Formula | C49H76O19 |
| Exact Mass | 968.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FiZZeOe1TuS |
|---|---|
| Name | BMKCXYLQIHKVJE-XKQUSRMNSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76O19 |
| InChI | InChI=1S/C49H76O19/c1-22-29(52)31(54)33(56)40(63-22)66-36-35(58)37(39(59)62-8)67-42(38(36)68-41-34(57)32(55)30(53)25(20-50)64-41)65-28-12-13-45(4)26(46(28,5)21-51)11-14-48(7)27(45)10-9-23-24-19-44(2,3)15-17-49(24,43(60)61)18-16-47(23,48)6/h9,21-22,24-38,40-42,50,52-58H,10-20H2,1-8H3,(H,60,61)/t22-,24?,25-,26?,27?,28+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38+,40-,41+,42+,45+,46+,47-,48-,49?/m1/s1 |
| InChIKey | BMKCXYLQIHKVJE-XKQUSRMNSA-N |
| Literature Reference Author | M.IWAMOTO,H.OKABE,T.YAMAUCHI,M.TANAKA,Y.ROKUTANI,S.HARA,K.MI HASHI,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,464(1985) |
| Literature Reference DOI | 10.1248/cpb.33.464 |
| Molecular Weight | 969.131 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK132 |