![ARALIASAPONIN-IV;28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANO](/api/spectrum/6M95z6rH7DE/structure.png?h=300&w=458 "ARALIASAPONIN-IV;28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANO")
| SpectraBase Compound ID | 3voXjC73NPF |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-40(66)37(63)34(60)27(20-55)70-45)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)72-46-42(74-43-38(64)32(58)25(57)22-68-43)41(35(61)28(21-56)71-46)73-44-39(65)36(62)33(59)26(19-54)69-44/h8,24-46,54-66H,9-22H2,1-7H3/t24?,25-,26-,27-,28-,29?,30?,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,44+,45+,46+,50+,51-,52-,53+/m1/s1 |
| InChIKey | OXVYRBXTKPWUPC-FRFYPCRFSA-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 | 6M95z6rH7DE |
|---|---|
| Name | ARALIASAPONIN-IV;28-O-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[BETA-D-XYLOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANO |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-40(66)37(63)34(60)27(20-55)70-45)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)72-46-42(74-43-38(64)32(58)25(57)22-68-43)41(35(61)28(21-56)71-46)73-44-39(65)36(62)33(59)26(19-54)69-44/h8,24-46,54-66H,9-22H2,1-7H3/t24?,25-,26-,27-,28-,29?,30?,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-,43+,44+,45+,46+,50+,51-,52-,53+/m1/s1 |
| InChIKey | OXVYRBXTKPWUPC-FRFYPCRFSA-N |
| Literature Reference Author | T.MIYASE,K.I.SHIOKAWA,D.M.ZHANG,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,41,1411(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00788-1 |
| Molecular Weight | 1075.253 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU4427 |