![3-O-BETA-D-APIOFURANOSYL-(1->3)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYLHEDERAGENIN;28-O-BETA-D-APIOFURANOSYL-(1->3)-[ALPHA-L-RHAMNOP](/api/spectrum/5y4Bp5q7kiZ/structure.png?h=300&w=458 "3-O-BETA-D-APIOFURANOSYL-(1->3)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYLHEDERAGENIN;28-O-BETA-D-APIOFURANOSYL-(1->3)-[ALPHA-L-RHAMNOP")
| SpectraBase Compound ID | FXNfAYblZ0y |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-23-30(51)32(53)33(54)37(60-23)64-35-34(63-39-36(55)47(58,21-50)22-59-39)31(52)26(19-48)61-38(35)62-29-11-12-42(4)27(43(29,5)20-49)10-13-45(7)28(42)9-8-24-25-18-41(2,3)14-16-46(25,40(56)57)17-15-44(24,45)6/h8,23,25-39,48-55,58H,9-22H2,1-7H3,(H,56,57)/t23-,25-,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,42-,43-,44+,45+,46-,47+/m0/s1 |
| InChIKey | PEKCUEUJMTVWNM-APQLEVBNSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5y4Bp5q7kiZ |
|---|---|
| Name | 3-O-BETA-D-APIOFURANOSYL-(1->3)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYLHEDERAGENIN;28-O-BETA-D-APIOFURANOSYL-(1->3)-[ALPHA-L-RHAMNOP |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-23-30(51)32(53)33(54)37(60-23)64-35-34(63-39-36(55)47(58,21-50)22-59-39)31(52)26(19-48)61-38(35)62-29-11-12-42(4)27(43(29,5)20-49)10-13-45(7)28(42)9-8-24-25-18-41(2,3)14-16-46(25,40(56)57)17-15-44(24,45)6/h8,23,25-39,48-55,58H,9-22H2,1-7H3,(H,56,57)/t23-,25-,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,42-,43-,44+,45+,46-,47+/m0/s1 |
| InChIKey | PEKCUEUJMTVWNM-APQLEVBNSA-N |
| Literature Reference Author | L.JAYASINGHE,H.SHIMADA,N.HARA,Y.FUJIMOTO |
| Literature Reference Citation | PHYTOCHEM.,40,891(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00360-J |
| Molecular Weight | 913.110 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS2568 |