| SpectraBase Compound ID | Bll5ozd0MEU |
|---|---|
| InChI | InChI=1S/C47H74O17/c1-22(49)58-27-18-44(9)29-17-26(61-39-34(55)33(54)32(53)28(19-48)62-39)37-41(4,5)30(63-40-36(60-24(3)51)35(59-23(2)50)25(52)20-57-40)12-14-47(37)21-46(29,47)16-15-43(44,8)38(27)45(10)13-11-31(64-45)42(6,7)56/h25-40,48,52-56H,11-21H2,1-10H3/t25-,26+,27+,28+,29+,30+,31+,32+,33-,34+,35+,36-,37+,38+,39+,40+,43-,44+,45+,46+,47-/m1/s1 |
| InChIKey | GZJSPFHGRIJXBF-BMLBBTAYSA-N |
| Mol Weight | 911.1 g/mol |
| Molecular Formula | C47H74O17 |
| Exact Mass | 910.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qXbPkp7aCH |
|---|---|
| Name | TROJANOSIDE-I;3-O-BETA-(2',3'-DI-O-ACETYL)-D-XYLOPYRANOSYL-6-O-BETA-D-GLUCOPYRANOSYL-16-O-ACETOXY-20(R),24(S)-EPOXYCYCLOARTANE-3-BETA,6-ALPHA,16-BE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O17 |
| InChI | InChI=1S/C47H74O17/c1-22(49)58-27-18-44(9)29-17-26(61-39-34(55)33(54)32(53)28(19-48)62-39)37-41(4,5)30(63-40-36(60-24(3)51)35(59-23(2)50)25(52)20-57-40)12-14-47(37)21-46(29,47)16-15-43(44,8)38(27)45(10)13-11-31(64-45)42(6,7)56/h25-40,48,52-56H,11-21H2,1-10H3/t25-,26+,27+,28+,29+,30+,31+,32+,33-,34+,35+,36-,37+,38+,39+,40+,43-,44+,45+,46+,47-/m1/s1 |
| InChIKey | GZJSPFHGRIJXBF-BMLBBTAYSA-N |
| Literature Reference Author | E.BEDIR,I.I.TATLI,I.CALIS,I.A.KHAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,1482(2001) |
| Literature Reference DOI | 10.1248/cpb.49.1482 |
| Molecular Weight | 911.094 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN29079 |