| SpectraBase Compound ID | DSrv4hSi3EO |
|---|---|
| InChI | InChI=1S/C57H79NO17/c1-32-49(60)40(65-7)27-47(68-32)74-51-34(3)70-48(29-42(51)67-9)75-50-33(2)69-46(28-41(50)66-8)72-39-20-21-53(5)38(26-39)19-22-56(63)43(53)30-44(73-45(59)18-17-36-14-11-10-12-15-36)54(6)55(62,23-24-57(54,56)64)35(4)71-52(61)37-16-13-25-58-31-37/h10-19,25,31-35,39-44,46-51,60,62-64H,20-24,26-30H2,1-9H3/b18-17+/t32-,33+,34-,35-,39-,40+,41-,42-,43+,44+,46-,47-,48+,49-,50+,51-,53-,54+,55+,56-,57+/m0/s1 |
| InChIKey | MMLRUZXTVDXRQT-GOAPLRCNSA-N |
| Mol Weight | 1050.2 g/mol |
| Molecular Formula | C57H79NO17 |
| Exact Mass | 1049.5348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKQJw9Fsyxd |
|---|---|
| Name | CYNANDROGENIN-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H79NO17 |
| InChI | InChI=1S/C57H79NO17/c1-32-49(60)40(65-7)27-47(68-32)74-51-34(3)70-48(29-42(51)67-9)75-50-33(2)69-46(28-41(50)66-8)72-39-20-21-53(5)38(26-39)19-22-56(63)43(53)30-44(73-45(59)18-17-36-14-11-10-12-15-36)54(6)55(62,23-24-57(54,56)64)35(4)71-52(61)37-16-13-25-58-31-37/h10-19,25,31-35,39-44,46-51,60,62-64H,20-24,26-30H2,1-9H3/b18-17+/t32-,33+,34-,35-,39-,40+,41-,42-,43+,44+,46-,47-,48+,49-,50+,51-,53-,54+,55+,56-,57+/m0/s1 |
| InChIKey | MMLRUZXTVDXRQT-GOAPLRCNSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,44,358(1996) |
| Literature Reference DOI | 10.1248/cpb.44.358 |
| Molecular Weight | 1050.251 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU31462 |