![PLANOTRIOL-2-ACETATE-3-BETA-[2-(2'-METHOXY-1'-NAPHTHYL)-3,5-DICHLORBENZOATE];(AS)-MNCB-ESTER](/api/spectrum/LyD2tYwaWIB/structure.png?h=300&w=458 "PLANOTRIOL-2-ACETATE-3-BETA-[2-(2'-METHOXY-1'-NAPHTHYL)-3,5-DICHLORBENZOATE];(AS)-MNCB-ESTER")
| SpectraBase Compound ID | 2iSICiycBwJ |
|---|---|
| InChI | InChI=1S/C35H36Cl2O6/c1-17-11-13-23-29(34(23,3)4)30-26(17)31(42-18(2)38)32(35(30,5)40)43-33(39)22-15-20(36)16-24(37)27(22)28-21-10-8-7-9-19(21)12-14-25(28)41-6/h7-10,12,14-16,23,26,29-32,40H,1,11,13H2,2-6H3/t23-,26-,29-,30-,31+,32+,35-/m0/s1 |
| InChIKey | VDWXEKBNZAIMAT-SRDNZTEGSA-N |
| Mol Weight | 623.6 g/mol |
| Molecular Formula | C35H36Cl2O6 |
| Exact Mass | 622.188894 g/mol |
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| SpectraBase Spectrum ID | LyD2tYwaWIB |
|---|---|
| Name | PLANOTRIOL-2-ACETATE-3-BETA-[2-(2'-METHOXY-1'-NAPHTHYL)-3,5-DICHLORBENZOATE];(AS)-MNCB-ESTER |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H36Cl2O6 |
| InChI | InChI=1S/C35H36Cl2O6/c1-17-11-13-23-29(34(23,3)4)30-26(17)31(42-18(2)38)32(35(30,5)40)43-33(39)22-15-20(36)16-24(37)27(22)28-21-10-8-7-9-19(21)12-14-25(28)41-6/h7-10,12,14-16,23,26,29-32,40H,1,11,13H2,2-6H3/t23-,26-,29-,30-,31+,32+,35-/m0/s1 |
| InChIKey | VDWXEKBNZAIMAT-SRDNZTEGSA-N |
| Literature Reference Author | K.NABETA,S.OHKUBO,R.HOZUMI,Y.FUKUSHI,H.NAKAI,K.KATOH |
| Literature Reference Citation | PHYTOCHEM.,43,83(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00257-9 |
| Molecular Weight | 623.573 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS1879 |