SpectraBase Compound ID | CoZdsrMkfJO |
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InChI | InChI=1S/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6-/t17-,18+,20+,21-,22+,23-,24+,26+,27-,28+/m1/s1 |
InChIKey | VWZXXWQOKCWKSB-UTIDNLJNSA-N |
Mol Weight | 594.6 g/mol |
Molecular Formula | C28H34O14 |
Exact Mass | 594.194856 g/mol |
SpectraBase Spectrum ID | 33WfYKifOEO |
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Name | 6-O-CIS-PARA-COUMAROYL-8-O-ACETYL-SHANZHISIDE-METHYLESTER |
Compound Number | 251 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C28H34O14 |
InChI | InChI=1S/C28H34O14/c1-13(30)42-28(2)10-17(39-19(32)9-6-14-4-7-15(31)8-5-14)20-16(25(36)37-3)12-38-26(21(20)28)41-27-24(35)23(34)22(33)18(11-29)40-27/h4-9,12,17-18,20-24,26-27,29,31,33-35H,10-11H2,1-3H3/b9-6-/t17-,18+,20+,21-,22+,23-,24+,26+,27-,28+/m1/s1 |
InChIKey | VWZXXWQOKCWKSB-UTIDNLJNSA-N |
Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
Literature Reference DOI | 10.1248/cpb.55.159 |
Molecular Weight | 594.570 g/mol |
Sample ID | 38047 |
Solvent | CD3OD |