![#1;CHAKASAPONIN-IV;22-O-TIGLOYL-A1-BARRIGENOL-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCO](/api/spectrum/Hj3SiuI6e5E/structure.png?h=300&w=458 "#1;CHAKASAPONIN-IV;22-O-TIGLOYL-A1-BARRIGENOL-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCO")
| SpectraBase Compound ID | BEZtbfZ8Uic |
|---|---|
| InChI | InChI=1S/C57H90O25/c1-10-23(2)47(73)77-32-18-52(3,4)17-25-24-11-12-30-54(7)15-14-31(53(5,6)29(54)13-16-55(30,8)56(24,9)44(69)45(70)57(25,32)22-59)78-51-43(82-49-38(67)36(65)35(64)28(19-58)76-49)40(39(68)41(80-51)46(71)72)79-50-42(34(63)27(61)21-75-50)81-48-37(66)33(62)26(60)20-74-48/h10-11,25-45,48-51,58-70H,12-22H2,1-9H3,(H,71,72)/b23-10+/t25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45+,48+,49-,50+,51-,54-,55+,56-,57+/m0/s1 |
| InChIKey | GMMMRIWOKNYPOM-KVPGDYMPSA-N |
| Mol Weight | 1175.3 g/mol |
| Molecular Formula | C57H90O25 |
| Exact Mass | 1174.577118 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hj3SiuI6e5E |
|---|---|
| Name | #1;CHAKASAPONIN-IV;22-O-TIGLOYL-A1-BARRIGENOL-3-O-[BETA-D-GALACTOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H90O25 |
| InChI | InChI=1S/C57H90O25/c1-10-23(2)47(73)77-32-18-52(3,4)17-25-24-11-12-30-54(7)15-14-31(53(5,6)29(54)13-16-55(30,8)56(24,9)44(69)45(70)57(25,32)22-59)78-51-43(82-49-38(67)36(65)35(64)28(19-58)76-49)40(39(68)41(80-51)46(71)72)79-50-42(34(63)27(61)21-75-50)81-48-37(66)33(62)26(60)20-74-48/h10-11,25-45,48-51,58-70H,12-22H2,1-9H3,(H,71,72)/b23-10+/t25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45+,48+,49-,50+,51-,54-,55+,56-,57+/m0/s1 |
| InChIKey | GMMMRIWOKNYPOM-KVPGDYMPSA-N |
| Literature Reference Author | H.MATSUDA,M.HAMAO,S.NAKAMURA,H.KONI,M.MURATA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,674(2012) |
| Literature Reference DOI | 10.1248/cpb.60.674 |
| Molecular Weight | 1175.327 g/mol |
| Source File Reference | UWBT4406 |