| SpectraBase Compound ID | DDFu1BEXqOS |
|---|---|
| InChI | InChI=1S/C48H78O20/c1-20-10-13-48(42(61)68-41-36(60)33(57)30(54)25(66-41)19-63-39-34(58)31(55)28(52)23(17-49)64-39)15-14-45(5)21(37(48)47(20,7)62)8-9-27-44(4)16-22(51)38(43(2,3)26(44)11-12-46(27,45)6)67-40-35(59)32(56)29(53)24(18-50)65-40/h8,20,22-41,49-60,62H,9-19H2,1-7H3/t20-,22-,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39-,40+,41+,44+,45-,46-,47+,48+/m1/s1 |
| InChIKey | JYKUOOBUQOMMMO-BTDQXLTFSA-N |
| Mol Weight | 975.1 g/mol |
| Molecular Formula | C48H78O20 |
| Exact Mass | 974.508645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtEcmC1Gd1O |
|---|---|
| Name | STELMATOTRITERPENOSIDE-G;#3;2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-URS-12-EN-28-OIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O20 |
| InChI | InChI=1S/C48H78O20/c1-20-10-13-48(42(61)68-41-36(60)33(57)30(54)25(66-41)19-63-39-34(58)31(55)28(52)23(17-49)64-39)15-14-45(5)21(37(48)47(20,7)62)8-9-27-44(4)16-22(51)38(43(2,3)26(44)11-12-46(27,45)6)67-40-35(59)32(56)29(53)24(18-50)65-40/h8,20,22-41,49-60,62H,9-19H2,1-7H3/t20-,22-,23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39-,40+,41+,44+,45-,46-,47+,48+/m1/s1 |
| InChIKey | JYKUOOBUQOMMMO-BTDQXLTFSA-N |
| Literature Reference Author | Q.ZHANG,Y.ZHAO,B.WANG,G.TU |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,574(2003) |
| Literature Reference DOI | 10.1248/cpb.51.574 |
| Molecular Weight | 975.135 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21397 |