![BARRINGTOSIDE-B;#2';BARRIGTOGENOL-C-21-O-TIGLOYL-28-O-ISOBUTYRYL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSIDE-ME](/api/spectrum/A7H9dLFYjCn/structure.png?h=300&w=458 "BARRINGTOSIDE-B;#2';BARRIGTOGENOL-C-21-O-TIGLOYL-28-O-ISOBUTYRYL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSIDE-ME")
| SpectraBase Compound ID | 2KggMr0QKTM |
|---|---|
| InChI | InChI=1S/C57H90O22/c1-13-26(4)47(69)79-45-44(67)57(24-73-46(68)25(2)3)28(20-52(45,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)60)75-51-43(78-50-39(65)37(63)36(62)30(22-58)74-50)41(40(66)42(77-51)48(70)71-12)76-49-38(64)35(61)29(59)23-72-49/h13-14,25,28-45,49-51,58-67H,15-24H2,1-12H3/b26-13+/t28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44-,45-,49-,50+,51+,54-,55+,56+,57-/m0/s1 |
| InChIKey | HYBUXDWPVSQEKZ-OESMMHCYSA-N |
| Mol Weight | 1127.3 g/mol |
| Molecular Formula | C57H90O22 |
| Exact Mass | 1126.592375 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 | A7H9dLFYjCn |
|---|---|
| Name | BARRINGTOSIDE-B;#2';BARRIGTOGENOL-C-21-O-TIGLOYL-28-O-ISOBUTYRYL-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-[BETA-D-GALACTOPYRANOSYL-(1->2)]-BETA-D-GLUCURONOPYRANOSIDE-ME |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H90O22 |
| InChI | InChI=1S/C57H90O22/c1-13-26(4)47(69)79-45-44(67)57(24-73-46(68)25(2)3)28(20-52(45,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)60)75-51-43(78-50-39(65)37(63)36(62)30(22-58)74-50)41(40(66)42(77-51)48(70)71-12)76-49-38(64)35(61)29(59)23-72-49/h13-14,25,28-45,49-51,58-67H,15-24H2,1-12H3/b26-13+/t28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44-,45-,49-,50+,51+,54-,55+,56+,57-/m0/s1 |
| InChIKey | HYBUXDWPVSQEKZ-OESMMHCYSA-N |
| Literature Reference Author | B.C.PAL,T.CHAUDHURI,K.YOSHIKAWA,S.ARIHARA |
| Literature Reference Citation | PHYTOCHEM.,35,1315(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94845-3 |
| Molecular Weight | 1127.328 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS24545 |