![HACQUETIASAPONIN-4;3-O-{BETA-D-GLUCUPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-(1->)}-21-(2-ACETOXY](/api/spectrum/2vb6hT0mdgM/structure.png?h=300&w=458 "HACQUETIASAPONIN-4;3-O-{BETA-D-GLUCUPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-(1->)}-21-(2-ACETOXY")
| SpectraBase Compound ID | I5TWKGYbpH0 |
|---|---|
| InChI | InChI=1S/C56H88O25/c1-12-54(10,81-24(3)60)49(72)80-43-44(74-23(2)59)56(22-58)26(19-50(43,4)5)25-13-14-30-52(8)17-16-31(51(6,7)29(52)15-18-53(30,9)55(25,11)41(68)42(56)69)76-48-40(79-47-36(66)34(64)33(63)28(20-57)75-47)38(37(67)39(78-48)45(70)71)77-46-35(65)32(62)27(61)21-73-46/h13,26-44,46-48,57-58,61-69H,12,14-22H2,1-11H3,(H,70,71)/t26-,27-,28+,29-,30+,31-,32-,33+,34-,35+,36+,37-,38-,39-,40+,41-,42+,43-,44-,46-,47-,48+,52-,53+,54?,55-,56-/m0/s1 |
| InChIKey | LDONPZOLBXIGGE-BXSQKEIBSA-N |
| Mol Weight | 1161.3 g/mol |
| Molecular Formula | C56H88O25 |
| Exact Mass | 1160.561468 g/mol |
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| SpectraBase Spectrum ID | 2vb6hT0mdgM |
|---|---|
| Name | HACQUETIASAPONIN-4;3-O-{BETA-D-GLUCUPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-(1->)}-21-(2-ACETOXY |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H88O25 |
| InChI | InChI=1S/C56H88O25/c1-12-54(10,81-24(3)60)49(72)80-43-44(74-23(2)59)56(22-58)26(19-50(43,4)5)25-13-14-30-52(8)17-16-31(51(6,7)29(52)15-18-53(30,9)55(25,11)41(68)42(56)69)76-48-40(79-47-36(66)34(64)33(63)28(20-57)75-47)38(37(67)39(78-48)45(70)71)77-46-35(65)32(62)27(61)21-73-46/h13,26-44,46-48,57-58,61-69H,12,14-22H2,1-11H3,(H,70,71)/t26-,27-,28+,29-,30+,31-,32-,33+,34-,35+,36+,37-,38-,39-,40+,41-,42+,43-,44-,46-,47-,48+,52-,53+,54?,55-,56-/m0/s1 |
| InChIKey | LDONPZOLBXIGGE-BXSQKEIBSA-N |
| Literature Reference Author | J.BURCZYK,G.REZNICEK,S.BAUMGARTEN,M.HUGH-BLOCH,J.JURENITSCH, H.SCHROEDER,U.WERZ,E |
| Literature Reference Citation | PHYTOCHEM.,39,195(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00871-P |
| Molecular Weight | 1161.300 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8412 |