![DEACETYLESCIN-IB;21-O-ANGELOYLPROTOAESCINGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1-2)][BETA-D-GLUCOPYRANOSYL-(1-4)]-BETA-D-GLUCURONPYRANOSYL-ACID](/api/spectrum/1zIrO7iqGMg/structure.png?h=300&w=458 "DEACETYLESCIN-IB;21-O-ANGELOYLPROTOAESCINGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1-2)][BETA-D-GLUCOPYRANOSYL-(1-4)]-BETA-D-GLUCURONPYRANOSYL-ACID")
| SpectraBase Compound ID | GQttLLONIfu |
|---|---|
| InChI | InChI=1S/C53H84O23/c1-9-22(2)44(69)76-42-41(66)53(21-57)24(16-48(42,3)4)23-10-11-28-49(5)14-13-30(50(6,20-56)27(49)12-15-51(28,7)52(23,8)17-29(53)58)72-47-39(74-46-36(64)34(62)32(60)26(19-55)71-46)37(65)38(40(75-47)43(67)68)73-45-35(63)33(61)31(59)25(18-54)70-45/h9-10,24-42,45-47,54-66H,11-21H2,1-8H3,(H,67,68)/b22-9-/t24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,45-,46-,47-,49-,50+,51+,52+,53-/m0/s1 |
| InChIKey | VCTRQTABKHTJAO-VXILAVKYSA-N |
| Mol Weight | 1089.2 g/mol |
| Molecular Formula | C53H84O23 |
| Exact Mass | 1088.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zIrO7iqGMg |
|---|---|
| Name | 21-BETA-ANGELOYL-PROTOAESCIGENIN-3-BETA-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDURONIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O23 |
| InChI | InChI=1S/C53H84O23/c1-9-22(2)44(69)76-42-41(66)53(21-57)24(16-48(42,3)4)23-10-11-28-49(5)14-13-30(50(6,20-56)27(49)12-15-51(28,7)52(23,8)17-29(53)58)72-47-39(74-46-36(64)34(62)32(60)26(19-55)71-46)37(65)38(40(75-47)43(67)68)73-45-35(63)33(61)31(59)25(18-54)70-45/h9-10,24-42,45-47,54-66H,11-21H2,1-8H3,(H,67,68)/b22-9-/t24-,25+,26+,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,45-,46-,47-,49-,50+,51+,52+,53-/m0/s1 |
| InChIKey | VCTRQTABKHTJAO-VXILAVKYSA-N |
| Literature Reference Author | H.W.LIU,X.S.YAO,N.L.WANG,G.P.CAI |
| Literature Reference Citation | CHIN.CHEM.LETT.,17,211(2006) |
| Molecular Weight | 1089.236 g/mol |
| Sample ID | 35795 |
| Solvent | C5D5N |