| SpectraBase Compound ID | HFuo6Fgjgaj |
|---|---|
| InChI | InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,47-,48-,49-,51-,52+,53+,54+,55-/m0/s1 |
| InChIKey | AXNVHPCVMSNXNP-SVHXNHSBSA-N |
| Mol Weight | 1131.3 g/mol |
| Molecular Formula | C55H86O24 |
| Exact Mass | 1130.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58YTWnx3ooB |
|---|---|
| Name | ESCIN-IA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H86O24 |
| InChI | InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42+,43-,44-,47-,48-,49-,51-,52+,53+,54+,55-/m0/s1 |
| InChIKey | AXNVHPCVMSNXNP-SVHXNHSBSA-N |
| Literature Reference Author | H.KIMURA,S.OGAWA,M.JISAKA,Y.KIMURA,T.KATSUBE,K.YOKOTA |
| Literature Reference Citation | J.PHARM.BIOM.ANAL.,41,1657(2006) |
| Literature Reference DOI | 10.1016/j.jpba.2006.02.031 |
| Molecular Weight | 1131.273 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWDB84 |