| SpectraBase Compound ID | 70K2VKaTD6I |
|---|---|
| InChI | InChI=1S/C36H48O21/c1-14-25(44)28(47)33(57-35-29(48)27(46)26(45)21(11-37)53-35)36(52-14)56-32-30(49)34(51-13-23(50-2)16-5-7-18(40)20(42)10-16)54-22(12-38)31(32)55-24(43)8-4-15-3-6-17(39)19(41)9-15/h3-10,14,21-23,25-42,44-49H,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 | VNIODXKKMXLOHD-CTFCLTPQSA-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 | H0Rq8M5mSls |
|---|---|
| Name | #4;ALMIUSIDE-D;2-(3,4-DIHYDROXYPHENYL)-(R,S)-METHOXY-ETHYL-O-BETA-D-GALACTOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-(4-O-TRANS-CAFFEOYL)-BETA-D-GLUCOPYR |
| 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(44)28(47)33(57-35-29(48)27(46)26(45)21(11-37)53-35)36(52-14)56-32-30(49)34(51-13-23(50-2)16-5-7-18(40)20(42)10-16)54-22(12-38)31(32)55-24(43)8-4-15-3-6-17(39)19(41)9-15/h3-10,14,21-23,25-42,44-49H,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 | VNIODXKKMXLOHD-CTFCLTPQSA-N |
| Literature Reference Author | N.ITO,T.NIHEI,R.KAKUDA,Y.YAOITA,M.KIKUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,1705(2006) |
| Literature Reference DOI | 10.1248/cpb.54.1705 |
| Molecular Weight | 816.765 g/mol |
| Sample ID | 55344 |
| Solvent | CD3OD |