| SpectraBase Compound ID | HTTTadKAi1S |
|---|---|
| InChI | InChI=1S/C48H76O20/c1-20-28(52)30(54)33(57)39(63-20)67-36-31(55)29(53)23(18-49)64-41(36)66-35-32(56)34(58)40(68-37(35)38(59)60)65-27-11-12-45(4)24(46(27,5)19-50)10-13-48(7)25(45)9-8-21-22-16-43(2,42(61)62)17-26(51)44(22,3)14-15-47(21,48)6/h8,20,22-37,39-41,49-58H,9-19H2,1-7H3,(H,59,60)(H,61,62)/t20-,22+,23+,24-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36+,37+,39-,40-,41-,43+,44-,45+,46-,47-,48-/m1/s1 |
| InChIKey | HSWTYLJRUQTVQP-OAGQZAAASA-N |
| Mol Weight | 973.1 g/mol |
| Molecular Formula | C48H76O20 |
| Exact Mass | 972.492995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CT9EGY2XyC2 |
|---|---|
| Name | 3-BETA,22-BETA,24-TRIHYDROXY-OLEAN-12-EN-OIC-ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCURONOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O20 |
| InChI | InChI=1S/C48H76O20/c1-20-28(52)30(54)33(57)39(63-20)67-36-31(55)29(53)23(18-49)64-41(36)66-35-32(56)34(58)40(68-37(35)38(59)60)65-27-11-12-45(4)24(46(27,5)19-50)10-13-48(7)25(45)9-8-21-22-16-43(2,42(61)62)17-26(51)44(22,3)14-15-47(21,48)6/h8,20,22-37,39-41,49-58H,9-19H2,1-7H3,(H,59,60)(H,61,62)/t20-,22+,23+,24-,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36+,37+,39-,40-,41-,43+,44-,45+,46-,47-,48-/m1/s1 |
| InChIKey | HSWTYLJRUQTVQP-OAGQZAAASA-N |
| Literature Reference Author | R.Q.SUN,Z.J.JIA |
| Literature Reference Citation | PHYTOCHEM.,29,2032(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85065-N |
| Molecular Weight | 973.119 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU32292 |