![3-O-BETA-D-APIOFURANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID](/api/spectrum/KgNPhZ3AnIu/structure.png?h=300&w=458 "3-O-BETA-D-APIOFURANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID")
| SpectraBase Compound ID | 73RVUg7sPrr |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-47(2)14-16-52(46(65)66)17-15-50(6)24(25(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)72-44-40(75-42-36(62)35(61)32(58)26(19-54)69-42)39(34(60)28(21-56)71-44)74-43-37(63)38(33(59)27(20-55)70-43)73-45-41(64)53(67,22-57)23-68-45/h8,25-45,54-64,67H,9-23H2,1-7H3,(H,65,66)/t25-,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41+,42-,43?,44+,45+,49-,50+,51+,52-,53-/m0/s1 |
| InChIKey | XONXRXLRRBVQTJ-ZEKZDQEISA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C53H86O22 |
| Exact Mass | 1074.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgNPhZ3AnIu |
|---|---|
| Name | 3-O-BETA-D-APIOFURANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-47(2)14-16-52(46(65)66)17-15-50(6)24(25(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)72-44-40(75-42-36(62)35(61)32(58)26(19-54)69-42)39(34(60)28(21-56)71-44)74-43-37(63)38(33(59)27(20-55)70-43)73-45-41(64)53(67,22-57)23-68-45/h8,25-45,54-64,67H,9-23H2,1-7H3,(H,65,66)/t25-,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41+,42-,43?,44+,45+,49-,50+,51+,52-,53-/m0/s1 |
| InChIKey | XONXRXLRRBVQTJ-ZEKZDQEISA-N |
| Literature Reference Author | L.VOUTQUENNE,P.GUINOT,O.THOISON,T.SEVENET,C.LAVAUD |
| Literature Reference Citation | PHYTOCHEM.,64,781(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00380-7 |
| Molecular Weight | 1075.253 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP5846 |