| SpectraBase Compound ID | 3nq6kSiy7zu |
|---|---|
| InChI | InChI=1S/C49H68N2O24/c1-23-34(57)39(62)45(49(68-23)69-28-14-8-25(9-15-28)10-16-32(55)51-19-5-4-18-50-24(2)54)75-48-42(65)44(37(60)31(72-48)22-67-33(56)17-11-26-6-12-27(66-3)13-7-26)74-47-41(64)43(36(59)30(21-53)71-47)73-46-40(63)38(61)35(58)29(20-52)70-46/h6-17,23,29-31,34-49,52-53,57-65H,4-5,18-22H2,1-3H3,(H,50,54)(H,51,55)/b16-10+,17-11+/t23-,29+,30+,31+,34-,35+,36+,37+,38-,39+,40+,41+,42+,43-,44-,45+,46-,47-,48-,49-/m0/s1 |
| InChIKey | YOSAWIWVZZRDHT-OFANGZLTSA-N |
| Mol Weight | 1069.1 g/mol |
| Molecular Formula | C49H68N2O24 |
| Exact Mass | 1068.416201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1NHkI0mR4S1 |
|---|---|
| Name | #1;CLERODENDIOD-A;BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->3)-(6-O-E-PARA-METHOXYCINNAMOYL)-BETA-D-GLUCOPYRANOSYL-(1->2)-[4-O-E-2-(4-ACETAMIDOBUT |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H68N2O24 |
| InChI | InChI=1S/C49H68N2O24/c1-23-34(57)39(62)45(49(68-23)69-28-14-8-25(9-15-28)10-16-32(55)51-19-5-4-18-50-24(2)54)75-48-42(65)44(37(60)31(72-48)22-67-33(56)17-11-26-6-12-27(66-3)13-7-26)74-47-41(64)43(36(59)30(21-53)71-47)73-46-40(63)38(61)35(58)29(20-52)70-46/h6-17,23,29-31,34-49,52-53,57-65H,4-5,18-22H2,1-3H3,(H,50,54)(H,51,55)/b16-10+,17-11+/t23-,29+,30+,31+,34-,35+,36+,37+,38-,39+,40+,41+,42+,43-,44-,45+,46-,47-,48-,49-/m0/s1 |
| InChIKey | YOSAWIWVZZRDHT-OFANGZLTSA-N |
| Literature Reference Author | P.WANG,L.SUN,J.TAN,J.XU,F.GUO,Y.LI |
| Literature Reference Citation | FITOTERAPIA,83,1494(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2012.08.016 |
| Molecular Weight | 1069.078 g/mol |
| Sample ID | 72081 |
| Solvent | DMSO-D6 |