![BrISBAGENIN_1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSIDE]](/api/spectrum/CSAKvPMnRtn/structure.png?h=300&w=458 "BrISBAGENIN_1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSIDE]")
| SpectraBase Compound ID | 8Y1Tq1VBs3F |
|---|---|
| InChI | InChI=1S/C44H72O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)32(48)21(4)56-40)37(27(46)17-53-41)58-39-35(51)33(49)31(47)20(3)55-39/h18-41,45-52H,7-17H2,1-6H3/t18-,19-,20-,21+,22-,23+,24?,25?,26?,27+,28?,29+,30?,31-,32+,33+,34-,35+,36-,37+,38-,39-,40+,41+,42-,43-,44+/m0/s1 |
| InChIKey | WCYYSWYRAGUDDM-SJILYKNGSA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C44H72O16 |
| Exact Mass | 856.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSAKvPMnRtn |
|---|---|
| Name | BrISBAGENIN_1-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)]-ALPHA-L-ARABINOPYRANOSIDE] |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H72O16 |
| InChI | InChI=1S/C44H72O16/c1-18-9-12-44(54-16-18)19(2)30-28(60-44)15-26-24-8-7-22-13-23(45)14-29(43(22,6)25(24)10-11-42(26,30)5)57-41-38(59-40-36(52)34(50)32(48)21(4)56-40)37(27(46)17-53-41)58-39-35(51)33(49)31(47)20(3)55-39/h18-41,45-52H,7-17H2,1-6H3/t18-,19-,20-,21+,22-,23+,24?,25?,26?,27+,28?,29+,30?,31-,32+,33+,34-,35+,36-,37+,38-,39-,40+,41+,42-,43-,44+/m0/s1 |
| InChIKey | WCYYSWYRAGUDDM-SJILYKNGSA-N |
| Literature Reference Author | T.INOUE,Y.MIMAKI,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | PHYTOCHEM.,39,1103(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00117-P |
| Molecular Weight | 857.046 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9061 |