| SpectraBase Compound ID | DRu0RwLfeB0 |
|---|---|
| InChI | InChI=1S/C31H46O11/c1-12-16(4)27(35)40-20(15-21(32)30(8,9)39-11)19(7)22-23(33)26(42-29(37)18(6)14-3)31(10,38)25(34)24(22)41-28(36)17(5)13-2/h12-14,20-24,26,32-33,38H,7,15H2,1-6,8-11H3/b16-12-,17-13-,18-14-/t20?,21?,22-,23-,24+,26-,31-/m0/s1 |
| InChIKey | UPGPLBUZKRKXSR-MYSQQPFPSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C31H46O11 |
| Exact Mass | 594.304012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oSrOojI8tc |
|---|---|
| Name | 1-ALPHA,3-BETA,10-TRIHYDROXY-11-METHOXY-2-ALPHA,5-ALPHA,8-TRIANGELOYLOXYBISABOLA-7(14)-EN-4-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46O11 |
| InChI | InChI=1S/C31H46O11/c1-12-16(4)27(35)40-20(15-21(32)30(8,9)39-11)19(7)22-23(33)26(42-29(37)18(6)14-3)31(10,38)25(34)24(22)41-28(36)17(5)13-2/h12-14,20-24,26,32-33,38H,7,15H2,1-6,8-11H3/b16-12-,17-13-,18-14-/t20?,21?,22-,23-,24+,26-,31-/m0/s1 |
| InChIKey | UPGPLBUZKRKXSR-MYSQQPFPSA-N |
| Literature Reference Author | K.GAO,L.YANG,Z.JIA |
| Literature Reference Citation | PLANTA.MED.,63,461(1997) |
| Literature Reference DOI | 10.1055/s-2006-957734 |
| Molecular Weight | 594.700 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UIAP897 |