| SpectraBase Compound ID | ANNnosqfNPk |
|---|---|
| InChI | InChI=1S/C48H78O16/c1-21-10-16-47-20-58-48(39(47)22(21)2)17-12-27-44(7)14-13-29(43(5,6)26(44)11-15-45(27,8)46(48,9)18-28(47)50)62-41-37(34(55)31(52)24(4)60-41)64-42-38(35(56)32(53)25(19-49)61-42)63-40-36(57)33(54)30(51)23(3)59-40/h12,17,21-42,49-57H,10-11,13-16,18-20H2,1-9H3/t21-,22+,23+,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,44+,45-,46+,47+,48+/m1/s1 |
| InChIKey | YYFFLJVNDZHSNP-NFYFVGPASA-N |
| Mol Weight | 911.1 g/mol |
| Molecular Formula | C48H78O16 |
| Exact Mass | 910.528986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDbjKyxJ8Ac |
|---|---|
| Name | ROTUNDIFOLIOSIDE-J;#3;13-BETA,28-EPOXY-16-ALPHA-HYDROXY-URS-11-EN-3-BETA-YL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O16 |
| InChI | InChI=1S/C48H78O16/c1-21-10-16-47-20-58-48(39(47)22(21)2)17-12-27-44(7)14-13-29(43(5,6)26(44)11-15-45(27,8)46(48,9)18-28(47)50)62-41-37(34(55)31(52)24(4)60-41)64-42-38(35(56)32(53)25(19-49)61-42)63-40-36(57)33(54)30(51)23(3)59-40/h12,17,21-42,49-57H,10-11,13-16,18-20H2,1-9H3/t21-,22+,23+,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,44+,45-,46+,47+,48+/m1/s1 |
| InChIKey | YYFFLJVNDZHSNP-NFYFVGPASA-N |
| Literature Reference Author | T.FUJIOKA,K.YOSHIDA,H.FUJII,T.NAGAO,H.OKABE,K.MIHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,365(2003) |
| Literature Reference DOI | 10.1248/cpb.51.365 |
| Molecular Weight | 911.138 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21211 |