![AD-III;3-O-BETA-[GALACTOPYRANOSYL-(1->4)-GALACTOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER](/api/spectrum/LuEIxf5fZC/structure.png?h=300&w=458 "AD-III;3-O-BETA-[GALACTOPYRANOSYL-(1->4)-GALACTOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | BTaCksi7GbO |
|---|---|
| InChI | InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-36(64)33(61)31(59)25(20-56)72-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-39(67)41(38(66)42(77-47)43(68)69)76-45-37(65)34(62)40(26(21-57)73-45)75-44-35(63)32(60)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24-,25+,26+,27?,28?,29-,30+,31+,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42-,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1 |
| InChIKey | WVLHDJTZFYFSLY-NJQXJOKXSA-N |
| Mol Weight | 1119.3 g/mol |
| Molecular Formula | C54H86O24 |
| Exact Mass | 1118.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LuEIxf5fZC |
|---|---|
| Name | AD-III;3-O-BETA-[GALACTOPYRANOSYL-(1->4)-GALACTOPYRANOSYL-(1->3)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O24 |
| InChI | InChI=1S/C54H86O24/c1-49(2)14-16-54(48(70)78-46-36(64)33(61)31(59)25(20-56)72-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-39(67)41(38(66)42(77-47)43(68)69)76-45-37(65)34(62)40(26(21-57)73-45)75-44-35(63)32(60)30(58)24(19-55)71-44/h8,23-42,44-47,55-67H,9-21H2,1-7H3,(H,68,69)/t23?,24-,25+,26+,27?,28?,29-,30+,31+,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42-,44+,45-,46-,47+,51-,52+,53+,54-/m0/s1 |
| InChIKey | WVLHDJTZFYFSLY-NJQXJOKXSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1119.262 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1221 |