| SpectraBase Compound ID | AUkhgLdb7uI |
|---|---|
| InChI | InChI=1S/C66H68O33/c67-24-42-50(76)54(80)59(85)66(96-42)95-41-23-36-37(71)21-35(91-63-58(84)55(81)51(77)43(97-63)25-88-46(72)16-7-28-1-10-32(68)11-2-28)22-38(36)92-62(41)31-19-39(93-64-60(86)56(82)52(78)44(98-64)26-89-47(73)17-8-29-3-12-33(69)13-4-29)49(75)40(20-31)94-65-61(87)57(83)53(79)45(99-65)27-90-48(74)18-9-30-5-14-34(70)15-6-30/h1-23,42-45,50-61,63-67,76-87H,24-27H2,(H4-,68,69,70,71,72,73,74,75)/p+1/t42-,43+,44+,45+,50-,51+,52+,53+,54+,55-,56-,57-,58+,59-,60+,61+,63+,64+,65+,66-/m0/s1 |
| InChIKey | LZMJIHMTGPMNTM-FHQIHDOPSA-O |
| Mol Weight | 1390.2 g/mol |
| Molecular Formula | C66H69O33 |
| Exact Mass | 1389.37211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9JbSwQyf02P |
|---|---|
| Name | DELPHINIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-7,3',5'-TRI-O-(6-O-PARA-COUMAROYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H69O33 |
| InChI | InChI=1S/C66H68O33/c67-24-42-50(76)54(80)59(85)66(96-42)95-41-23-36-37(71)21-35(91-63-58(84)55(81)51(77)43(97-63)25-88-46(72)16-7-28-1-10-32(68)11-2-28)22-38(36)92-62(41)31-19-39(93-64-60(86)56(82)52(78)44(98-64)26-89-47(73)17-8-29-3-12-33(69)13-4-29)49(75)40(20-31)94-65-61(87)57(83)53(79)45(99-65)27-90-48(74)18-9-30-5-14-34(70)15-6-30/h1-23,42-45,50-61,63-67,76-87H,24-27H2,(H4-,68,69,70,71,72,73,74,75)/p+1/t42-,43+,44+,45+,50-,51+,52+,53+,54+,55-,56-,57-,58+,59-,60+,61+,63+,64+,65+,66-/m0/s1 |
| InChIKey | LZMJIHMTGPMNTM-FHQIHDOPSA-O |
| Literature Reference Author | S.J.BLOOR |
| Literature Reference Citation | PHYTOCHEM.,58,923(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00343-0 |
| Molecular Weight | 1390.254 g/mol |
| Solvent | CD3OD:CF3COOD=98:2 |