![#1;PHYSENOSIDE-S1;28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-3-O-BETA-D-GLUCOPY](/api/spectrum/Ki3ZvpfPHGo/structure.png?h=300&w=458 "#1;PHYSENOSIDE-S1;28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-3-O-BETA-D-GLUCOPY")
| SpectraBase Compound ID | ANJmoe1JKIO |
|---|---|
| InChI | InChI=1S/C57H92O26/c1-23-42(79-46-38(69)33(64)27(61)19-74-46)37(68)41(72)48(77-23)81-44-43(80-47-39(70)34(65)28(62)20-75-47)29(63)21-76-50(44)83-51(73)57-14-12-52(2,3)16-25(57)24-8-9-32-53(4)17-26(60)45(82-49-40(71)36(67)35(66)30(18-58)78-49)54(5,22-59)31(53)10-11-56(32,7)55(24,6)13-15-57/h8,23,25-50,58-72H,9-22H2,1-7H3/t23-,25-,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44+,45-,46+,47+,48-,49-,50-,53-,54-,55+,56+,57-/m0/s1 |
| InChIKey | YFDMVBRIHAEULM-RGGDJRDASA-N |
| Mol Weight | 1193.3 g/mol |
| Molecular Formula | C57H92O26 |
| Exact Mass | 1192.587683 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ki3ZvpfPHGo |
|---|---|
| Name | #1;PHYSENOSIDE-S1;28-O-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSYL-3-O-BETA-D-GLUCOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H92O26 |
| InChI | InChI=1S/C57H92O26/c1-23-42(79-46-38(69)33(64)27(61)19-74-46)37(68)41(72)48(77-23)81-44-43(80-47-39(70)34(65)28(62)20-75-47)29(63)21-76-50(44)83-51(73)57-14-12-52(2,3)16-25(57)24-8-9-32-53(4)17-26(60)45(82-49-40(71)36(67)35(66)30(18-58)78-49)54(5,22-59)31(53)10-11-56(32,7)55(24,6)13-15-57/h8,23,25-50,58-72H,9-22H2,1-7H3/t23-,25-,26-,27-,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44+,45-,46+,47+,48-,49-,50-,53-,54-,55+,56+,57-/m0/s1 |
| InChIKey | YFDMVBRIHAEULM-RGGDJRDASA-N |
| Literature Reference Author | M.INOUE,K.OHTANI,R.KASAI,M.OKUKUBO,M.ANDRIANTSIFERANA,K.YAMA SAKI,T.KOIKE |
| Literature Reference Citation | PHYTOCHEM.,70,1195(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.06.002 |
| Molecular Weight | 1193.342 g/mol |
| Sample ID | 45543 |
| Solvent | C5D5N |