![SAPONARIOSIDE-J;3-O-BETA-D-XYLOPYRANOSYLOLEAN-11,13-(18)-DIENE-23,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BE](/api/spectrum/KvSl21htA7r/structure.png?h=300&w=458 "SAPONARIOSIDE-J;3-O-BETA-D-XYLOPYRANOSYLOLEAN-11,13-(18)-DIENE-23,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BE")
| SpectraBase Compound ID | GnOHr6VVNMF |
|---|---|
| InChI | InChI=1S/C53H82O24/c1-48(2)13-15-53(47(69)77-45-40(66)41(76-44-39(65)36(62)33(59)26(19-55)73-44)34(60)27(74-45)21-71-42-38(64)35(61)32(58)25(18-54)72-42)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-43-37(63)31(57)24(56)20-70-43)52(6,46(67)68)29(49)9-12-51(28,50)5/h7-8,24-45,54-66H,9-21H2,1-6H3,(H,67,68)/t24-,25-,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+/m1/s1 |
| InChIKey | FFFZMPXSVRTZOW-NNTQIMKWSA-N |
| Mol Weight | 1103.2 g/mol |
| Molecular Formula | C53H82O24 |
| Exact Mass | 1102.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvSl21htA7r |
|---|---|
| Name | SAPONARIOSIDE-J;3-O-BETA-D-XYLOPYRANOSYLOLEAN-11,13-(18)-DIENE-23,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H82O24 |
| InChI | InChI=1S/C53H82O24/c1-48(2)13-15-53(47(69)77-45-40(66)41(76-44-39(65)36(62)33(59)26(19-55)73-44)34(60)27(74-45)21-71-42-38(64)35(61)32(58)25(18-54)72-42)16-14-50(4)22(23(53)17-48)7-8-28-49(3)11-10-30(75-43-37(63)31(57)24(56)20-70-43)52(6,46(67)68)29(49)9-12-51(28,50)5/h7-8,24-45,54-66H,9-21H2,1-6H3,(H,67,68)/t24-,25-,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+/m1/s1 |
| InChIKey | FFFZMPXSVRTZOW-NNTQIMKWSA-N |
| Literature Reference Author | K.KOIKE,Z.JIA,T.NIKAIDO |
| Literature Reference Citation | J.NAT.PROD.,62,1655(1999) |
| Literature Reference DOI | 10.1021/np990311r |
| Molecular Weight | 1103.220 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWRU467 |