| SpectraBase Compound ID | 4RWG4tnY1IP |
|---|---|
| InChI | InChI=1S/C48H54O25/c1-20(49)60-19-34-36(65-23(4)52)37(66-24(5)53)38(67-25(6)54)45(69-34)71-46-39-47(9)40(73-47)41(48(39,14-15-59-46)72-27(8)56)70-43(58)31-18-62-44(68-26(7)55)35-29(10-12-30(31)35)17-61-42(57)28-11-13-32(63-21(2)50)33(16-28)64-22(3)51/h11,13-16,18,29-30,34-41,44-46H,10,12,17,19H2,1-9H3/t29-,30+,34-,35+,36-,37+,38-,39+,40-,41+,44-,45+,46-,47+,48-/m0/s1 |
| InChIKey | JVCSZVKINKJXOU-QSBFWPKRSA-N |
| Mol Weight | 1030.9 g/mol |
| Molecular Formula | C48H54O25 |
| Exact Mass | 1030.295417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQlYNmwjRLu |
|---|---|
| Name | INCASIDE-OCTAACETATE |
| Compound Number | 170 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H54O25 |
| InChI | InChI=1S/C48H54O25/c1-20(49)60-19-34-36(65-23(4)52)37(66-24(5)53)38(67-25(6)54)45(69-34)71-46-39-47(9)40(73-47)41(48(39,14-15-59-46)72-27(8)56)70-43(58)31-18-62-44(68-26(7)55)35-29(10-12-30(31)35)17-61-42(57)28-11-13-32(63-21(2)50)33(16-28)64-22(3)51/h11,13-16,18,29-30,34-41,44-46H,10,12,17,19H2,1-9H3/t29-,30+,34-,35+,36-,37+,38-,39+,40-,41+,44-,45+,46-,47+,48-/m0/s1 |
| InChIKey | JVCSZVKINKJXOU-QSBFWPKRSA-N |
| Literature Reference Author | B.DINDA,D.R.CHOWDHURY,B.C.MOHANTA |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,765(2009) |
| Literature Reference DOI | 10.1248/cpb.57.765 |
| Molecular Weight | 1030.942 g/mol |
| Sample ID | 2768 |
| Solvent | CDCl3 |