| SpectraBase Compound ID | ea23OmOMx2 |
|---|---|
| InChI | InChI=1S/C38H46O11S/c1-19(2)10-9-15-36(8)16-14-22-28(39)26-29(40)27-32(50(44,45)46)24-18-25-35(6,7)49-37(33(24)41,17-13-21(5)34(42)43)38(25,27)48-31(26)23(30(22)47-36)12-11-20(3)4/h10-11,13-14,16,24-25,27,32,39H,9,12,15,17-18H2,1-8H3,(H,42,43)(H,44,45,46)/b21-13+/t24-,25-,27?,32+,36+,37-,38+/m0/s1 |
| InChIKey | VYZBIJXUFDJCGJ-UOCPLBQOSA-N |
| Mol Weight | 710.8 g/mol |
| Molecular Formula | C38H46O11S |
| Exact Mass | 710.276083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | akdKhk6lUh |
|---|---|
| Name | 10-BETA-SULFONIC-ACID-GAMBOGIC-ACID;10-BETA-SGA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H46O11S |
| InChI | InChI=1S/C38H46O11S/c1-19(2)10-9-15-36(8)16-14-22-28(39)26-29(40)27-32(50(44,45)46)24-18-25-35(6,7)49-37(33(24)41,17-13-21(5)34(42)43)38(25,27)48-31(26)23(30(22)47-36)12-11-20(3)4/h10-11,13-14,16,24-25,27,32,39H,9,12,15,17-18H2,1-8H3,(H,42,43)(H,44,45,46)/b21-13+/t24-,25-,27?,32+,36+,37-,38+/m0/s1 |
| InChIKey | VYZBIJXUFDJCGJ-UOCPLBQOSA-N |
| Literature Reference Author | J.YANG,L.DING,L.HU,W.QIAN,S.JIN,X.SUN,Z.WANG,W.XIAO |
| Literature Reference Citation | DRUG.MET.DISP.,39,617(2011) |
| Literature Reference DOI | 10.1124/dmd.110.037044 |
| Molecular Weight | 710.837 g/mol |
| Sample ID | 73703 |
| Solvent | DMSO-D6 |