| SpectraBase Compound ID | JTVENtTUQzA |
|---|---|
| InChI | InChI=1S/C43H70O14/c1-20-27(45)29(47)31(49)35(55-20)54-19-23-28(46)30(48)32(50)36(56-23)57-34-22(44)18-40(6)24(39(34,4)5)12-13-42(8)25(40)11-10-21-26-33(51)38(2,3)14-16-43(26,37(52)53-9)17-15-41(21,42)7/h10,20,22-36,44-51H,11-19H2,1-9H3/t20-,22+,23+,24?,25?,26?,27-,28+,29+,30-,31+,32+,33-,34-,35+,36-,40-,41+,42+,43?/m0/s1 |
| InChIKey | JJSBQQUANAWMHR-RWRQOQNOSA-N |
| Mol Weight | 811.0 g/mol |
| Molecular Formula | C43H70O14 |
| Exact Mass | 810.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4j17cObSug5 |
|---|---|
| Name | 2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-OLEAN-12-EN-28-OIC-ACID-METHYLESTER-3-BETA-O-RUTINOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H70O14 |
| InChI | InChI=1S/C43H70O14/c1-20-27(45)29(47)31(49)35(55-20)54-19-23-28(46)30(48)32(50)36(56-23)57-34-22(44)18-40(6)24(39(34,4)5)12-13-42(8)25(40)11-10-21-26-33(51)38(2,3)14-16-43(26,37(52)53-9)17-15-41(21,42)7/h10,20,22-36,44-51H,11-19H2,1-9H3/t20-,22+,23+,24?,25?,26?,27-,28+,29+,30-,31+,32+,33-,34-,35+,36-,40-,41+,42+,43?/m0/s1 |
| InChIKey | JJSBQQUANAWMHR-RWRQOQNOSA-N |
| Literature Reference Author | S.K.SRIVASTAVA,S.D.SRIVASTAVA,B.K.CHOUKSEY |
| Literature Reference Citation | FITOTERAPIA,70,390(1999) |
| Literature Reference DOI | 10.1016/S0367-326X(99)00060-X |
| Molecular Weight | 811.020 g/mol |
| Solvent | Unknown |
| Source File Reference | UWVN3756 |