| SpectraBase Compound ID | K8m3CTKgyB3 |
|---|---|
| InChI | InChI=1S/C51H82O17/c1-25(52)33-16-18-51(55)34-14-13-31-19-32(15-17-49(31,7)35(34)20-40(50(33,51)8)64-30(6)53)65-41-22-37(57-10)46(27(3)61-41)67-43-24-39(59-12)48(29(5)63-43)68-44-23-38(58-11)47(28(4)62-44)66-42-21-36(56-9)45(54)26(2)60-42/h13,26-29,32-48,54-55H,14-24H2,1-12H3/t26-,27+,28+,29-,32-,33-,34+,35-,36-,37-,38+,39+,40+,41-,42+,43+,44-,45-,46+,47+,48-,49-,50-,51-/m0/s1 |
| InChIKey | AQTDJMKCSQVMHE-NIEMXQPMSA-N |
| Mol Weight | 967.2 g/mol |
| Molecular Formula | C51H82O17 |
| Exact Mass | 966.555201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFHXaiA5qOJ |
|---|---|
| Name | #5;12-O-ACETYL-RAMANONE-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O17 |
| InChI | InChI=1S/C51H82O17/c1-25(52)33-16-18-51(55)34-14-13-31-19-32(15-17-49(31,7)35(34)20-40(50(33,51)8)64-30(6)53)65-41-22-37(57-10)46(27(3)61-41)67-43-24-39(59-12)48(29(5)63-43)68-44-23-38(58-11)47(28(4)62-44)66-42-21-36(56-9)45(54)26(2)60-42/h13,26-29,32-48,54-55H,14-24H2,1-12H3/t26-,27+,28+,29-,32-,33-,34+,35-,36-,37-,38+,39+,40+,41-,42+,43+,44-,45-,46+,47+,48-,49-,50-,51-/m0/s1 |
| InChIKey | AQTDJMKCSQVMHE-NIEMXQPMSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1752(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1752 |
| Molecular Weight | 967.202 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20829 |