| SpectraBase Compound ID | 6kDbGaXYRGO |
|---|---|
| InChI | InChI=1S/C47H52O23/c1-20-28(66-44(60)23-7-4-8-24(14-23)64-43(59)22-6-5-9-25(15-22)65-46-40(56)38(54)36(52)31(17-48)67-46)16-26-27(42(57)58)19-63-45(34(20)26)70-47-41(39(55)37(53)32(18-49)68-47)69-33(50)11-10-21-12-29(61-2)35(51)30(13-21)62-3/h4-15,19-20,26,28,31-32,34,36-41,45-49,51-56H,16-18H2,1-3H3,(H,57,58)/b11-10+/t20-,26+,28+,31+,32-,34+,36+,37-,38-,39+,40+,41-,45-,46+,47+/m0/s1 |
| InChIKey | QYVHVDVEGZMKQW-NGRBMZOOSA-N |
| Mol Weight | 984.9 g/mol |
| Molecular Formula | C47H52O23 |
| Exact Mass | 984.289938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ansckt7cNh |
|---|---|
| Name | SENBURISIDE-III |
| Compound Number | 155 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H52O23 |
| InChI | InChI=1S/C47H52O23/c1-20-28(66-44(60)23-7-4-8-24(14-23)64-43(59)22-6-5-9-25(15-22)65-46-40(56)38(54)36(52)31(17-48)67-46)16-26-27(42(57)58)19-63-45(34(20)26)70-47-41(39(55)37(53)32(18-49)68-47)69-33(50)11-10-21-12-29(61-2)35(51)30(13-21)62-3/h4-15,19-20,26,28,31-32,34,36-41,45-49,51-56H,16-18H2,1-3H3,(H,57,58)/b11-10+/t20-,26+,28+,31+,32-,34+,36+,37-,38-,39+,40+,41-,45-,46+,47+/m0/s1 |
| InChIKey | QYVHVDVEGZMKQW-NGRBMZOOSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 984.916 g/mol |
| Sample ID | 37951 |
| Solvent | CD3OD |