SpectraBase Compound ID | 69ZCOXFSOjQ |
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InChI | InChI=1S/C29H36O14/c1-14(31)43-29(2)11-18(40-20(32)10-7-15-5-8-16(37-3)9-6-15)21-17(26(36)38-4)13-39-27(22(21)29)42-28-25(35)24(34)23(33)19(12-30)41-28/h5-10,13,18-19,21-25,27-28,30,33-35H,11-12H2,1-4H3/b10-7-/t18-,19+,21+,22-,23+,24-,25+,27?,28-,29+/m1/s1 |
InChIKey | FIPTZHRZSSIZKR-SAHRCRLESA-N |
Mol Weight | 608.6 g/mol |
Molecular Formula | C29H36O14 |
Exact Mass | 608.210506 g/mol |
SpectraBase Spectrum ID | JcuNQ2RU6Lv |
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Name | 6-O-PARA-METHOXY-CIS-CINNAMOYL-8-O-ACETYLSHANZHISIDE-METHYLESTER |
Compound Number | 6 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C29H36O14 |
InChI | InChI=1S/C29H36O14/c1-14(31)43-29(2)11-18(40-20(32)10-7-15-5-8-16(37-3)9-6-15)21-17(26(36)38-4)13-39-27(22(21)29)42-28-25(35)24(34)23(33)19(12-30)41-28/h5-10,13,18-19,21-25,27-28,30,33-35H,11-12H2,1-4H3/b10-7-/t18-,19+,21+,22-,23+,24-,25+,27?,28-,29+/m1/s1 |
InChIKey | FIPTZHRZSSIZKR-SAHRCRLESA-N |
Literature Reference Author | P.TUNTIWACHWUTTIKUL,O.PANCHAROEN,W.C.TAYLOR |
Literature Reference Citation | PHYTOCHEM.,49,163(1998) |
Literature Reference DOI | 10.1016/S0031-9422(97)01049-2 |
Molecular Weight | 608.596 g/mol |
Solvent | CDCl3:DMSO-D6 |
Source File Reference | UWLU42 |