![#3;KANKANOSIDE-K1;2-METHOXY-2-(3,4-DIHYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[(BETA-D-GLUCOPYRANOSYL-(1->6)]-4-O-TRANS-CAFFEOYL-BETA-D-GLUCOPYRAN](/api/spectrum/8iNJUKxseTd/structure.png?h=300&w=458 "#3;KANKANOSIDE-K1;2-METHOXY-2-(3,4-DIHYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[(BETA-D-GLUCOPYRANOSYL-(1->6)]-4-O-TRANS-CAFFEOYL-BETA-D-GLUCOPYRAN")
| SpectraBase Compound ID | 5tgCJKYe81E |
|---|---|
| InChI | InChI=1S/C36H48O21/c1-14-25(43)27(45)30(48)36(53-14)57-33-31(49)35(51-12-22(50-2)16-5-7-18(39)20(41)10-16)55-23(13-52-34-29(47)28(46)26(44)21(11-37)54-34)32(33)56-24(42)8-4-15-3-6-17(38)19(40)9-15/h3-10,14,21-23,25-41,43-49H,11-13H2,1-2H3/b8-4+/t14-,21+,22?,23-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35-,36-/m0/s1 |
| InChIKey | CMIQSZHVMSPOCJ-HZKKEELWSA-N |
| Mol Weight | 816.8 g/mol |
| Molecular Formula | C36H48O21 |
| Exact Mass | 816.268809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8iNJUKxseTd |
|---|---|
| Name | #3;KANKANOSIDE-K1;2-METHOXY-2-(3,4-DIHYDROXYPHENYL)-ETHYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-[(BETA-D-GLUCOPYRANOSYL-(1->6)]-4-O-TRANS-CAFFEOYL-BETA-D-GLUCOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48O21 |
| InChI | InChI=1S/C36H48O21/c1-14-25(43)27(45)30(48)36(53-14)57-33-31(49)35(51-12-22(50-2)16-5-7-18(39)20(41)10-16)55-23(13-52-34-29(47)28(46)26(44)21(11-37)54-34)32(33)56-24(42)8-4-15-3-6-17(38)19(40)9-15/h3-10,14,21-23,25-41,43-49H,11-13H2,1-2H3/b8-4+/t14-,21+,22?,23-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35-,36-/m0/s1 |
| InChIKey | CMIQSZHVMSPOCJ-HZKKEELWSA-N |
| Literature Reference Author | Y.PAN,T.MORIKAWA,K.NINOMIYA,K.IMURA,D.YUAN,M.YOSHIKAWA,O.MUR AOKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,575(2010) |
| Literature Reference DOI | 10.1248/cpb.58.575 |
| Molecular Weight | 816.765 g/mol |
| Sample ID | 3470 |
| Solvent | CD3OD |