![LADYGINOSIDE-E;3-O-BETA-[GLUCOPYRANOSYL-(1->4)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOSYL-(1->6)-[GALACTOPYRAN](/api/spectrum/Ic6wmvGwpqA/structure.png?h=300&w=458 "LADYGINOSIDE-E;3-O-BETA-[GLUCOPYRANOSYL-(1->4)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOSYL-(1->6)-[GALACTOPYRAN")
| SpectraBase Compound ID | 20g8g9jZZJh |
|---|---|
| InChI | InChI=1S/C72H116O39/c1-67(2)14-16-72(17-15-70(6)25(26(72)18-67)8-9-34-69(5)12-11-35(68(3,4)33(69)10-13-71(34,70)7)107-65-54(94)47(87)56(57(110-65)58(95)96)109-63-51(91)43(83)38(78)29(21-75)103-63)66(97)111-64-52(92)45(85)40(80)31(105-64)23-99-61-53(93)46(86)55(108-62-50(90)42(82)37(77)28(20-74)102-62)32(106-61)24-100-60-49(89)44(84)39(79)30(104-60)22-98-59-48(88)41(81)36(76)27(19-73)101-59/h8,26-57,59-65,73-94H,9-24H2,1-7H3,(H,95,96)/t26?,27-,28+,29-,30?,31+,32?,33?,34?,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45-,46-,47+,48-,49-,50+,51-,52+,53-,54+,55-,56-,57-,59-,60-,61-,62-,63+,64-,65+,69-,70+,71+,72-/m0/s1 |
| InChIKey | LVPAPZCQOZBNGS-GVZJYSEHSA-N |
| Mol Weight | 1605.7 g/mol |
| Molecular Formula | C72H116O39 |
| Exact Mass | 1604.709374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ic6wmvGwpqA |
|---|---|
| Name | LADYGINOSIDE-E;3-O-BETA-[GLUCOPYRANOSYL-(1->4)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-[GLUCOPYRANOSYL-(1->6)-GLUCOPYRANOSYL-(1->6)-[GALACTOPYRAN |
| Compound Number | 100 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H116O39 |
| InChI | InChI=1S/C72H116O39/c1-67(2)14-16-72(17-15-70(6)25(26(72)18-67)8-9-34-69(5)12-11-35(68(3,4)33(69)10-13-71(34,70)7)107-65-54(94)47(87)56(57(110-65)58(95)96)109-63-51(91)43(83)38(78)29(21-75)103-63)66(97)111-64-52(92)45(85)40(80)31(105-64)23-99-61-53(93)46(86)55(108-62-50(90)42(82)37(77)28(20-74)102-62)32(106-61)24-100-60-49(89)44(84)39(79)30(104-60)22-98-59-48(88)41(81)36(76)27(19-73)101-59/h8,26-57,59-65,73-94H,9-24H2,1-7H3,(H,95,96)/t26?,27-,28+,29-,30?,31+,32?,33?,34?,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45-,46-,47+,48-,49-,50+,51-,52+,53-,54+,55-,56-,57-,59-,60-,61-,62-,63+,64-,65+,69-,70+,71+,72-/m0/s1 |
| InChIKey | LVPAPZCQOZBNGS-GVZJYSEHSA-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 | 1605.690 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1250 |