| SpectraBase Compound ID | nAEris3znd |
|---|---|
| InChI | InChI=1S/C47H72O19/c1-20-9-14-47(16-15-44(4)22(23(47)17-20)7-8-26-43(3)12-11-28(49)46(6,41(58)59)27(43)10-13-45(26,44)5)42(60)66-40-35(56)32(53)30(51)25(64-40)19-61-38-36(57)33(54)37(24(18-48)63-38)65-39-34(55)31(52)29(50)21(2)62-39/h7,21,23-40,48-57H,1,8-19H2,2-6H3,(H,58,59)/t21-,23+,24-,25-,26?,27?,28+,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44-,45-,46+,47+/m1/s1 |
| InChIKey | UCQFMBXHEZNBGP-RAQWIOIYSA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C47H72O19 |
| Exact Mass | 940.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCIdczjT1tK |
|---|---|
| Name | ACANJAPOSIDE-A;3-BETA-HYDROXY-30-NOR-OLEAN-12,20(29)-DIENE-23,28-DIOIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O19 |
| InChI | InChI=1S/C47H72O19/c1-20-9-14-47(16-15-44(4)22(23(47)17-20)7-8-26-43(3)12-11-28(49)46(6,41(58)59)27(43)10-13-45(26,44)5)42(60)66-40-35(56)32(53)30(51)25(64-40)19-61-38-36(57)33(54)37(24(18-48)63-38)65-39-34(55)31(52)29(50)21(2)62-39/h7,21,23-40,48-57H,1,8-19H2,2-6H3,(H,58,59)/t21-,23+,24-,25-,26?,27?,28+,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,43-,44-,45-,46+,47+/m1/s1 |
| InChIKey | UCQFMBXHEZNBGP-RAQWIOIYSA-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 | 941.077 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN2608 |