![BIOCHANIN-A-7-O-[BETA-D-APIOFURANOSYL-(1->5)-BETA-D-APIOFURANOSYL-(1->6)-BETA-GLUCOPYRANOSIDE]-PERACETYLATED](/api/spectrum/6F1g9NCA6FN/structure.png?h=300&w=458 "BIOCHANIN-A-7-O-[BETA-D-APIOFURANOSYL-(1->5)-BETA-D-APIOFURANOSYL-(1->6)-BETA-GLUCOPYRANOSIDE]-PERACETYLATED")
| SpectraBase Compound ID | 6IAfPpGrDAb |
|---|---|
| InChI | InChI=1S/C50H56O27/c1-23(51)64-19-49(76-30(8)58)20-66-48(45(49)73-29(7)57)67-22-50(77-31(9)59)21-65-47(44(50)72-28(6)56)63-18-38-41(69-25(3)53)42(70-26(4)54)43(71-27(5)55)46(75-38)74-34-15-36-39(37(16-34)68-24(2)52)40(60)35(17-62-36)32-11-13-33(61-10)14-12-32/h11-17,38,41-48H,18-22H2,1-10H3/t38-,41-,42+,43-,44+,45-,46-,47-,48-,49+,50+/m0/s1 |
| InChIKey | QRJNGSKINZZGMO-XGAVNJLDSA-N |
| Mol Weight | 1089.0 g/mol |
| Molecular Formula | C50H56O27 |
| Exact Mass | 1088.300897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6F1g9NCA6FN |
|---|---|
| Name | BIOCHANIN-A-7-O-[BETA-D-APIOFURANOSYL-(1->5)-BETA-D-APIOFURANOSYL-(1->6)-BETA-GLUCOPYRANOSIDE]-PERACETYLATED |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H56O27 |
| InChI | InChI=1S/C50H56O27/c1-23(51)64-19-49(76-30(8)58)20-66-48(45(49)73-29(7)57)67-22-50(77-31(9)59)21-65-47(44(50)72-28(6)56)63-18-38-41(69-25(3)53)42(70-26(4)54)43(71-27(5)55)46(75-38)74-34-15-36-39(37(16-34)68-24(2)52)40(60)35(17-62-36)32-11-13-33(61-10)14-12-32/h11-17,38,41-48H,18-22H2,1-10H3/t38-,41-,42+,43-,44+,45-,46-,47-,48-,49+,50+/m0/s1 |
| InChIKey | QRJNGSKINZZGMO-XGAVNJLDSA-N |
| Literature Reference Author | S.F.FARAG,A.S.AHMED,K.TERASHIMA,Y.TAKAYA,M.NIWA |
| Literature Reference Citation | PHYTOCHEM.,57,1263(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00195-9 |
| Molecular Weight | 1088.978 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN2450 |