| SpectraBase Compound ID | KZw5IvKCx9I |
|---|---|
| InChI | InChI=1S/C47H72O18/c1-21-9-14-47(16-15-45(5)23(24(47)17-21)7-8-28-43(3)12-11-29(50)44(4,20-49)27(43)10-13-46(28,45)6)42(59)65-41-36(57)33(54)31(52)26(63-41)19-60-39-37(58)34(55)38(25(18-48)62-39)64-40-35(56)32(53)30(51)22(2)61-40/h7,20,22,24-41,48,50-58H,1,8-19H2,2-6H3/t22-,24+,25-,26-,27?,28?,29+,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41+,43+,44+,45-,46-,47+/m1/s1 |
| InChIKey | MLWNDZPJHCBVPM-NDYASRJXSA-N |
| Mol Weight | 925.1 g/mol |
| Molecular Formula | C47H72O18 |
| Exact Mass | 924.471865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5roTAXHnqww |
|---|---|
| Name | ACANJAPOSIDE-B;3-BETA-HYDROXY-23-OXO-30-NOR-OLEAN-12,20(29)-DIENE-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O18 |
| InChI | InChI=1S/C47H72O18/c1-21-9-14-47(16-15-45(5)23(24(47)17-21)7-8-28-43(3)12-11-29(50)44(4,20-49)27(43)10-13-46(28,45)6)42(59)65-41-36(57)33(54)31(52)26(63-41)19-60-39-37(58)34(55)38(25(18-48)62-39)64-40-35(56)32(53)30(51)22(2)61-40/h7,20,22,24-41,48,50-58H,1,8-19H2,2-6H3/t22-,24+,25-,26-,27?,28?,29+,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41+,43+,44+,45-,46-,47+/m1/s1 |
| InChIKey | MLWNDZPJHCBVPM-NDYASRJXSA-N |
| Literature Reference Author | S.Y.PARK,S.Y.CHANG,O.J.OH,C.S.YOOK,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,59,379(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00436-8 |
| Molecular Weight | 925.078 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN2610 |