| SpectraBase Compound ID | H4gr2fIIEWW |
|---|---|
| InChI | InChI=1S/C42H46O23/c1-15-29(48)33(52)36(55)40(60-15)59-14-27-32(51)35(54)38(57)42(65-27)63-25-12-20-23(61-39(25)17-8-21(45)30(49)22(46)9-17)10-19(44)11-24(20)62-41-37(56)34(53)31(50)26(64-41)13-58-28(47)7-4-16-2-5-18(43)6-3-16/h2-12,15,26-27,29,31-38,40-42,48,50-57H,13-14H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t15-,26-,27+,29-,31-,32+,33+,34+,35-,36+,37-,38+,40+,41-,42+/m1/s1 |
| InChIKey | XJYKTQOUFOKCDP-OKSHJQJKSA-O |
| Mol Weight | 919.8 g/mol |
| Molecular Formula | C42H47O23 |
| Exact Mass | 919.250813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JtMBq7lPPg |
|---|---|
| Name | DELPHINIDIN-3-O-BETA-D-(6-O-ALPHA-L-RHAMNOPYRANOSYLGLUCOPYRANOSIDE)-5-O-BETA-D-(6-Z-PARA-COUMAROYLGLUCOPYRANOSIDE) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H47O23 |
| InChI | InChI=1S/C42H46O23/c1-15-29(48)33(52)36(55)40(60-15)59-14-27-32(51)35(54)38(57)42(65-27)63-25-12-20-23(61-39(25)17-8-21(45)30(49)22(46)9-17)10-19(44)11-24(20)62-41-37(56)34(53)31(50)26(64-41)13-58-28(47)7-4-16-2-5-18(43)6-3-16/h2-12,15,26-27,29,31-38,40-42,48,50-57H,13-14H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t15-,26-,27+,29-,31-,32+,33+,34+,35-,36+,37-,38+,40+,41-,42+/m1/s1 |
| InChIKey | XJYKTQOUFOKCDP-OKSHJQJKSA-O |
| Literature Reference Author | K.R.MARKHAM |
| Literature Reference Citation | PHYTOCHEM.,42,1035(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00137-9 |
| Molecular Weight | 919.821 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU3688 |