| SpectraBase Compound ID | B3Ur3KK5aZe |
|---|---|
| InChI | InChI=1S/C47H76O17/c1-19-9-14-47(18-49)28(20(19)2)22-15-23(50)37-44(6)12-11-27(43(4,5)26(44)10-13-45(37,7)46(22,8)38-39(47)64-38)61-41-35(32(55)29(52)21(3)59-41)63-42-36(33(56)31(54)25(16-48)60-42)62-40-34(57)30(53)24(51)17-58-40/h15,19-21,23-42,48-57H,9-14,16-18H2,1-8H3/t19-,20+,21-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41+,42+,44+,45-,46+,47-/m1/s1 |
| InChIKey | FMFFBDMNMHFSEA-LJWFWJPBSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C47H76O17 |
| Exact Mass | 912.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FaJB6Q7nGsO |
|---|---|
| Name | ROTUNDIFOLIOSIDE-D;#12;15-ALPHA,16-ALPHA-EPOXY-11-ALPHA,28-DIHYDROXY-URS-12-EN-3-BETA-YL-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOP |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76O17 |
| InChI | InChI=1S/C47H76O17/c1-19-9-14-47(18-49)28(20(19)2)22-15-23(50)37-44(6)12-11-27(43(4,5)26(44)10-13-45(37,7)46(22,8)38-39(47)64-38)61-41-35(32(55)29(52)21(3)59-41)63-42-36(33(56)31(54)25(16-48)60-42)62-40-34(57)30(53)24(51)17-58-40/h15,19-21,23-42,48-57H,9-14,16-18H2,1-8H3/t19-,20+,21-,23-,24-,25-,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39-,40+,41+,42+,44+,45-,46+,47-/m1/s1 |
| InChIKey | FMFFBDMNMHFSEA-LJWFWJPBSA-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 | 913.110 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21219 |