| SpectraBase Compound ID | 1srhxsZIj6m |
|---|---|
| InChI | InChI=1S/C47H76O20/c1-42(19-50)10-12-47(41(61)67-40-36(60)33(57)30(54)25(17-49)64-40)13-11-45(4)21(22(47)14-42)6-7-28-43(2)15-23(52)37(44(3,20-51)27(43)8-9-46(28,45)5)66-38-34(58)31(55)26(18-62-38)65-39-35(59)32(56)29(53)24(16-48)63-39/h6,22-40,48-60H,7-20H2,1-5H3/t22?,23-,24+,25?,26+,27?,28?,29+,30?,31-,32-,33?,34+,35+,36?,37-,38-,39-,40?,42-,43-,44-,45+,46+,47?/m0/s1 |
| InChIKey | OKENHBHBMLRBFQ-VTLVGEBFSA-N |
| Mol Weight | 961.1 g/mol |
| Molecular Formula | C47H76O20 |
| Exact Mass | 960.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fdVwve77zX |
|---|---|
| Name | ESCULENTOSIDE-J |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O20 |
| InChI | InChI=1S/C47H76O20/c1-42(19-50)10-12-47(41(61)67-40-36(60)33(57)30(54)25(17-49)64-40)13-11-45(4)21(22(47)14-42)6-7-28-43(2)15-23(52)37(44(3,20-51)27(43)8-9-46(28,45)5)66-38-34(58)31(55)26(18-62-38)65-39-35(59)32(56)29(53)24(16-48)63-39/h6,22-40,48-60H,7-20H2,1-5H3/t22?,23-,24+,25?,26+,27?,28?,29+,30?,31-,32-,33?,34+,35+,36?,37-,38-,39-,40?,42-,43-,44-,45+,46+,47?/m0/s1 |
| InChIKey | OKENHBHBMLRBFQ-VTLVGEBFSA-N |
| Literature Reference Author | Y.YANG-HUA,D.FU-BAO |
| Literature Reference Citation | PLANTA.MED.,57,162(1991) |
| Literature Reference DOI | 10.1055/s-2006-960056 |
| Molecular Weight | 961.108 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP120 |