![#1;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-OLEAN-11,13(18)-DIENE-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTE](/api/spectrum/JypWBMCpXzC/structure.png?h=300&w=458 "#1;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-OLEAN-11,13(18)-DIENE-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTE")
| SpectraBase Compound ID | 70XswgtPP1O |
|---|---|
| InChI | InChI=1S/C54H84O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8-9,24-42,44-47,55-67H,10-21H2,1-7H3,(H,68,69)/t24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35+,36-,37+,38-,39+,40+,41+,42-,44+,45-,46+,47-,51+,52-,53-,54+/m1/s1 |
| InChIKey | KBZPYTRMDTZKIA-RJLCAPRVSA-N |
| Mol Weight | 1117.2 g/mol |
| Molecular Formula | C54H84O24 |
| Exact Mass | 1116.535254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JypWBMCpXzC |
|---|---|
| Name | #1;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL]-OLEAN-11,13(18)-DIENE-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H84O24 |
| InChI | InChI=1S/C54H84O24/c1-49(2)14-16-54(48(70)78-46-38(66)35(63)32(60)26(21-57)73-46)17-15-52(6)22(23(54)18-49)8-9-28-51(5)12-11-29(50(3,4)27(51)10-13-53(28,52)7)74-47-42(77-45-37(65)34(62)31(59)25(20-56)72-45)40(39(67)41(76-47)43(68)69)75-44-36(64)33(61)30(58)24(19-55)71-44/h8-9,24-42,44-47,55-67H,10-21H2,1-7H3,(H,68,69)/t24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35+,36-,37+,38-,39+,40+,41+,42-,44+,45-,46+,47-,51+,52-,53-,54+/m1/s1 |
| InChIKey | KBZPYTRMDTZKIA-RJLCAPRVSA-N |
| Literature Reference Author | L.BI,X.TIAN,F.DOU,L.HONG,H.TANG,S.WANG |
| Literature Reference Citation | FITOTERAPIA,83,234(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2011.11.002 |
| Molecular Weight | 1117.247 g/mol |
| Sample ID | 71777 |
| Solvent | C5D5N |