| SpectraBase Compound ID | GHmLzGJ40co |
|---|---|
| InChI | InChI=1S/C27H30O13/c1-3-17-25(36-13-18-24(33)35-11-10-27(17,18)34)40-26-23(37-14(2)29)21(32)22(19(12-28)38-26)39-20(31)9-6-15-4-7-16(30)8-5-15/h3-9,13,17,19,21-23,25-26,28,30,32,34H,1,10-12H2,2H3/b9-6-/t17-,19-,21+,22-,23-,25-,26+,27+/m0/s1 |
| InChIKey | YZBJKHZNDVUYIY-RWTJNWQQSA-N |
| Mol Weight | 562.52 g/mol |
| Molecular Formula | C27H30O13 |
| Exact Mass | 562.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TlP4mSvmxm |
|---|---|
| Name | 2'-O-ACETYL-4'-O-CIS-(PARA-COUMAROYL)-SWERTIAMARIN |
| Compound Number | 59 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O13 |
| InChI | InChI=1S/C27H30O13/c1-3-17-25(36-13-18-24(33)35-11-10-27(17,18)34)40-26-23(37-14(2)29)21(32)22(19(12-28)38-26)39-20(31)9-6-15-4-7-16(30)8-5-15/h3-9,13,17,19,21-23,25-26,28,30,32,34H,1,10-12H2,2H3/b9-6-/t17-,19-,21+,22-,23-,25-,26+,27+/m0/s1 |
| InChIKey | YZBJKHZNDVUYIY-RWTJNWQQSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,689(2007) |
| Literature Reference DOI | 10.1248/cpb.55.689 |
| Molecular Weight | 562.527 g/mol |
| Sample ID | 37471 |
| Solvent | CD3OD |