![DEACELYLESCIN-IIA;21-O-TIGLOYLPROAESCINGENIN-3-O-[BETA-D-XYLOPYRANOSYL-(1-2)][BTA-D-GLUCOPYRANOSYL-(1-4)]-BETA-D-GLUCONOPYRANOSYL-ACID](/api/spectrum/DOliLvAAiHF/structure.png?h=300&w=458 "DEACELYLESCIN-IIA;21-O-TIGLOYLPROAESCINGENIN-3-O-[BETA-D-XYLOPYRANOSYL-(1-2)][BTA-D-GLUCOPYRANOSYL-(1-4)]-BETA-D-GLUCONOPYRANOSYL-ACID")
| SpectraBase Compound ID | 8OWzazGy2Xk |
|---|---|
| InChI | InChI=1S/C52H82O22/c1-9-22(2)43(67)74-41-40(64)52(21-55)24(16-47(41,3)4)23-10-11-28-48(5)14-13-30(49(6,20-54)27(48)12-15-50(28,7)51(23,8)17-29(52)57)70-46-38(72-44-34(61)31(58)25(56)19-68-44)36(63)37(39(73-46)42(65)66)71-45-35(62)33(60)32(59)26(18-53)69-45/h9-10,24-41,44-46,53-64H,11-21H2,1-8H3,(H,65,66)/b22-9+/t24-,25+,26-,27+,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41-,44-,45+,46+,48-,49+,50+,51+,52-/m0/s1 |
| InChIKey | JGUGNVGGTKMNJN-WFGCXCBUSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C52H82O22 |
| Exact Mass | 1058.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOliLvAAiHF |
|---|---|
| Name | DEACELYLESCIN-IIA;21-O-TIGLOYLPROAESCINGENIN-3-O-[BETA-D-XYLOPYRANOSYL-(1-2)][BTA-D-GLUCOPYRANOSYL-(1-4)]-BETA-D-GLUCONOPYRANOSYL-ACID |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O22 |
| InChI | InChI=1S/C52H82O22/c1-9-22(2)43(67)74-41-40(64)52(21-55)24(16-47(41,3)4)23-10-11-28-48(5)14-13-30(49(6,20-54)27(48)12-15-50(28,7)51(23,8)17-29(52)57)70-46-38(72-44-34(61)31(58)25(56)19-68-44)36(63)37(39(73-46)42(65)66)71-45-35(62)33(60)32(59)26(18-53)69-45/h9-10,24-41,44-46,53-64H,11-21H2,1-8H3,(H,65,66)/b22-9+/t24-,25+,26-,27+,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41-,44-,45+,46+,48-,49+,50+,51+,52-/m0/s1 |
| InChIKey | JGUGNVGGTKMNJN-WFGCXCBUSA-N |
| Literature Reference Author | H.KIMURA,S.OGAWA,M.JISAKA,Y.KIMURA,T.KATSUBE,K.YOKOTA |
| Literature Reference Citation | J.PHARM.BIOM.ANAL.,41,1657(2006) |
| Literature Reference DOI | 10.1016/j.jpba.2006.02.031 |
| Molecular Weight | 1059.210 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWDB89 |