| SpectraBase Compound ID | 7eNgYV8mzHN |
|---|---|
| InChI | InChI=1S/C47H72O20/c1-25(2)11-7-16-30(17-9-14-26(3)12-8-13-27(4)15-10-18-31-19-35(51)61-22-31)21-62-46-43(40(56)36(52)32(20-48)63-46)67-47-44(41(57)38(54)34(65-47)24-60-29(6)50)66-45-42(58)39(55)37(53)33(64-45)23-59-28(5)49/h11-12,15,17,19,32-34,36-48,52-58H,7-10,13-14,16,18,20-24H2,1-6H3/b26-12+,27-15+,30-17-/t32-,33+,34+,36-,37+,38+,39-,40+,41-,42+,43-,44+,45-,46-,47-/m0/s1 |
| InChIKey | DAVQOXFWSXLRQP-QLUBLVMSSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C47H72O20 |
| Exact Mass | 956.461695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6mek57HywYW |
|---|---|
| Name | 6'',6'''-O-DIACETYL-BALIBALOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O20 |
| InChI | InChI=1S/C47H72O20/c1-25(2)11-7-16-30(17-9-14-26(3)12-8-13-27(4)15-10-18-31-19-35(51)61-22-31)21-62-46-43(40(56)36(52)32(20-48)63-46)67-47-44(41(57)38(54)34(65-47)24-60-29(6)50)66-45-42(58)39(55)37(53)33(64-45)23-59-28(5)49/h11-12,15,17,19,32-34,36-48,52-58H,7-10,13-14,16,18,20-24H2,1-6H3/b26-12+,27-15+,30-17-/t32-,33+,34+,36-,37+,38+,39-,40+,41-,42+,43-,44+,45-,46-,47-/m0/s1 |
| InChIKey | DAVQOXFWSXLRQP-QLUBLVMSSA-N |
| Literature Reference Author | C.AUDOIN,D.BONHOMME,J.IVANISEVIC,M.DELACRUZ,B.CAUTAIN,M.C.MO NTEIRO,F.REYES,L.RIO |
| Literature Reference Citation | MAR.DRUGS,11,1477(2013) |
| Literature Reference DOI | 10.3390/md11051477 |
| Molecular Weight | 957.077 g/mol |
| Source File Reference | UWLU74827 |