| SpectraBase Compound ID | 4Q3mM2QXFR3 |
|---|---|
| InChI | InChI=1S/C61H86O33/c1-9-26-30(34(53(77)80-6)21-85-56(26)92-59-50(74)47(71)44(68)38(16-62)89-59)13-41(65)83-19-24(4)29-12-37(88-43(67)15-32-28(11-3)58(87-23-36(32)55(79)82-8)94-61-52(76)49(73)46(70)40(18-64)91-61)25(5)33(29)20-84-42(66)14-31-27(10-2)57(86-22-35(31)54(78)81-7)93-60-51(75)48(72)45(69)39(17-63)90-60/h9-11,21-25,29-33,37-40,44-52,56-64,68-76H,12-20H2,1-8H3/b26-9+,27-10+,28-11+/t24?,25-,29-,30-,31-,32-,33+,37-,38-,39-,40-,44-,45-,46-,47+,48+,49+,50-,51-,52-,56-,57-,58-,59+,60+,61+/m0/s1 |
| InChIKey | RMDFMCLBZOVSDV-OBTSSLCNSA-N |
| Mol Weight | 1347.3 g/mol |
| Molecular Formula | C61H86O33 |
| Exact Mass | 1346.505135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5O5786Yoz57 |
|---|---|
| Name | JASUROSIDE-B |
| Compound Number | 115 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H86O33 |
| InChI | InChI=1S/C61H86O33/c1-9-26-30(34(53(77)80-6)21-85-56(26)92-59-50(74)47(71)44(68)38(16-62)89-59)13-41(65)83-19-24(4)29-12-37(88-43(67)15-32-28(11-3)58(87-23-36(32)55(79)82-8)94-61-52(76)49(73)46(70)40(18-64)91-61)25(5)33(29)20-84-42(66)14-31-27(10-2)57(86-22-35(31)54(78)81-7)93-60-51(75)48(72)45(69)39(17-63)90-60/h9-11,21-25,29-33,37-40,44-52,56-64,68-76H,12-20H2,1-8H3/b26-9+,27-10+,28-11+/t24?,25-,29-,30-,31-,32-,33+,37-,38-,39-,40-,44-,45-,46-,47+,48+,49+,50-,51-,52-,56-,57-,58-,59+,60+,61+/m0/s1 |
| InChIKey | RMDFMCLBZOVSDV-OBTSSLCNSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,689(2007) |
| Literature Reference DOI | 10.1248/cpb.55.689 |
| Molecular Weight | 1347.334 g/mol |
| Sample ID | 37527 |
| Solvent | CD3OD |