| SpectraBase Compound ID | 8v04Nln8iS6 |
|---|---|
| InChI | InChI=1S/C75H74O35/c76-39-13-1-34(2-14-39)9-21-54(81)98-30-50-59(86)63(90)67(94)72(107-50)102-43-27-45(80)44-29-49(106-75-70(97)66(93)62(89)53(110-75)33-101-57(84)24-12-37-7-19-42(79)20-8-37)71(103-46(44)28-43)38-25-47(104-73-68(95)64(91)60(87)51(108-73)31-99-55(82)22-10-35-3-15-40(77)16-4-35)58(85)48(26-38)105-74-69(96)65(92)61(88)52(109-74)32-100-56(83)23-11-36-5-17-41(78)18-6-36/h1-29,50-53,59-70,72-75,86-97H,30-33H2,(H5-,76,77,78,79,80,81,82,83,84,85)/p+1/t50-,51-,52-,53+,59-,60-,61-,62+,63+,64+,65+,66-,67-,68-,69-,70+,72-,73-,74-,75+/m1/s1 |
| InChIKey | JAJKWMTWUQEPJO-GAZHKUJTSA-O |
| Mol Weight | 1536.4 g/mol |
| Molecular Formula | C75H75O35 |
| Exact Mass | 1535.408889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CNuI5DuJ4e5 |
|---|---|
| Name | DELPHINIDIN-3,7,3',5'-TETRA-O-(6-O-PARA-COUMAROYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C75H75O35 |
| InChI | InChI=1S/C75H74O35/c76-39-13-1-34(2-14-39)9-21-54(81)98-30-50-59(86)63(90)67(94)72(107-50)102-43-27-45(80)44-29-49(106-75-70(97)66(93)62(89)53(110-75)33-101-57(84)24-12-37-7-19-42(79)20-8-37)71(103-46(44)28-43)38-25-47(104-73-68(95)64(91)60(87)51(108-73)31-99-55(82)22-10-35-3-15-40(77)16-4-35)58(85)48(26-38)105-74-69(96)65(92)61(88)52(109-74)32-100-56(83)23-11-36-5-17-41(78)18-6-36/h1-29,50-53,59-70,72-75,86-97H,30-33H2,(H5-,76,77,78,79,80,81,82,83,84,85)/p+1/t50-,51-,52-,53+,59-,60-,61-,62+,63+,64+,65+,66-,67-,68-,69-,70+,72-,73-,74-,75+/m1/s1 |
| InChIKey | JAJKWMTWUQEPJO-GAZHKUJTSA-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 | 1536.399 g/mol |
| Solvent | CD3OD:CF3COOD=98:2 |