| SpectraBase Compound ID | 7votL9ePzTg |
|---|---|
| InChI | InChI=1S/C53H84O23/c1-9-22(2)44(69)76-42-41(66)53(21-57)24(16-48(42,3)4)23-10-11-28-49(5)14-13-30(50(6,20-56)27(49)12-15-51(28,7)52(23,8)17-29(53)58)72-47-39(74-46-36(64)34(62)32(60)26(19-55)71-46)37(65)38(40(75-47)43(67)68)73-45-35(63)33(61)31(59)25(18-54)70-45/h9-10,24-42,45-47,54-66H,11-21H2,1-8H3,(H,67,68)/b22-9-/t24?,25-,26-,27-,28?,29-,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40-,41+,42+,45+,46+,47+,49+,50-,51-,52-,53+/m1/s1 |
| InChIKey | VCTRQTABKHTJAO-ZNIGYZRPSA-N |
| Mol Weight | 1089.2 g/mol |
| Molecular Formula | C53H84O23 |
| Exact Mass | 1088.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xFJOBuGxGa |
|---|---|
| Name | AESCULUSIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O23 |
| InChI | InChI=1S/C53H84O23/c1-9-22(2)44(69)76-42-41(66)53(21-57)24(16-48(42,3)4)23-10-11-28-49(5)14-13-30(50(6,20-56)27(49)12-15-51(28,7)52(23,8)17-29(53)58)72-47-39(74-46-36(64)34(62)32(60)26(19-55)71-46)37(65)38(40(75-47)43(67)68)73-45-35(63)33(61)31(59)25(18-54)70-45/h9-10,24-42,45-47,54-66H,11-21H2,1-8H3,(H,67,68)/b22-9-/t24?,25-,26-,27-,28?,29-,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40-,41+,42+,45+,46+,47+,49+,50-,51-,52-,53+/m1/s1 |
| InChIKey | VCTRQTABKHTJAO-ZNIGYZRPSA-N |
| Literature Reference Author | B.SINGH,P.K.AGRAWAL,R.S.THAKUR |
| Literature Reference Citation | PLANTA.MED.,52,409(1986) |
| Literature Reference DOI | 10.1055/s-2007-969203 |
| Molecular Weight | 1089.236 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK607 |