| SpectraBase Compound ID | KFZBI7zAYO8 |
|---|---|
| InChI | InChI=1S/C78H110O36/c1-24-76(21,33-27-30-39(4)5)114-75-69(65(103-52(18)88)61(99-48(14)84)57(108-75)38-95-45(11)81)111-72-66(104-53(19)89)62(100-49(15)85)58(42(8)96-72)109-70(91)40(6)31-28-35-78(23,26-3)113-74-68(64(102-51(17)87)60(98-47(13)83)56(107-74)37-94-44(10)80)110-71(92)41(7)32-29-34-77(22,25-2)112-73-67(105-54(20)90)63(101-50(16)86)59(97-46(12)82)55(106-73)36-93-43(9)79/h24-26,30-32,42,55-69,72-75H,1-3,27-29,33-38H2,4-23H3/b40-31+,41-32+/t42-,55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67-,68-,69-,72-,73+,74+,75+,76?,77?,78?/m0/s1 |
| InChIKey | YFKPQSRRBRETJZ-YOZYPBFISA-N |
| Mol Weight | 1623.7 g/mol |
| Molecular Formula | C78H110O36 |
| Exact Mass | 1622.67768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 33YtrhDX6vA |
|---|---|
| Name | ANATOLIOSIDE-E-DODECAACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H110O36 |
| InChI | InChI=1S/C78H110O36/c1-24-76(21,33-27-30-39(4)5)114-75-69(65(103-52(18)88)61(99-48(14)84)57(108-75)38-95-45(11)81)111-72-66(104-53(19)89)62(100-49(15)85)58(42(8)96-72)109-70(91)40(6)31-28-35-78(23,26-3)113-74-68(64(102-51(17)87)60(98-47(13)83)56(107-74)37-94-44(10)80)110-71(92)41(7)32-29-34-77(22,25-2)112-73-67(105-54(20)90)63(101-50(16)86)59(97-46(12)82)55(106-73)36-93-43(9)79/h24-26,30-32,42,55-69,72-75H,1-3,27-29,33-38H2,4-23H3/b40-31+,41-32+/t42-,55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67-,68-,69-,72-,73+,74+,75+,76?,77?,78?/m0/s1 |
| InChIKey | YFKPQSRRBRETJZ-YOZYPBFISA-N |
| Literature Reference Author | I.CAHS,A.YUERUEKER,H.RUEEGGER,A.D.WRIGHT,O.STICHER |
| Literature Reference Citation | HELV.CHIM.ACTA,76,2563(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760716 |
| Molecular Weight | 1623.710 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP6701 |