![AESCULIOSIDE-C;21,22-O-DITIGLOYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSYL-ACID](/api/spectrum/2I3cXDGJMCs/structure.png?h=300&w=458 "AESCULIOSIDE-C;21,22-O-DITIGLOYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSYL-ACID")
| SpectraBase Compound ID | F3NQCW3UxRy |
|---|---|
| InChI | InChI=1S/C58H90O24/c1-11-25(3)48(73)81-45-46(82-49(74)26(4)12-2)58(24-62)28(19-53(45,5)6)27-13-14-32-54(7)17-16-34(55(8,23-61)31(54)15-18-56(32,9)57(27,10)20-33(58)63)77-52-43(79-51-40(69)38(67)36(65)30(22-60)76-51)41(70)42(44(80-52)47(71)72)78-50-39(68)37(66)35(64)29(21-59)75-50/h11-13,28-46,50-52,59-70H,14-24H2,1-10H3,(H,71,72)/b25-11+,26-12+/t28-,29+,30+,31?,32?,33+,34-,35+,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,50-,51-,52-,54-,55+,56+,57+,58-/m0/s1 |
| InChIKey | YUWQEHOPYCXSDK-GBIDXZERSA-N |
| Mol Weight | 1171.3 g/mol |
| Molecular Formula | C58H90O24 |
| Exact Mass | 1170.582204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2I3cXDGJMCs |
|---|---|
| Name | AESCULIOSIDE-C;21,22-O-DITIGLOYLPROTOAESCIGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSYL-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H90O24 |
| InChI | InChI=1S/C58H90O24/c1-11-25(3)48(73)81-45-46(82-49(74)26(4)12-2)58(24-62)28(19-53(45,5)6)27-13-14-32-54(7)17-16-34(55(8,23-61)31(54)15-18-56(32,9)57(27,10)20-33(58)63)77-52-43(79-51-40(69)38(67)36(65)30(22-60)76-51)41(70)42(44(80-52)47(71)72)78-50-39(68)37(66)35(64)29(21-59)75-50/h11-13,28-46,50-52,59-70H,14-24H2,1-10H3,(H,71,72)/b25-11+,26-12+/t28-,29+,30+,31?,32?,33+,34-,35+,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-,46-,50-,51-,52-,54-,55+,56+,57+,58-/m0/s1 |
| InChIKey | YUWQEHOPYCXSDK-GBIDXZERSA-N |
| Literature Reference Author | Z.ZHANG,K.KOIKE,Z.JIA,T.NIKAIDO,D.GUO,J.ZHENG |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1515(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1515 |
| Molecular Weight | 1171.338 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8360 |