| SpectraBase Compound ID | 76XMZsyGCo1 |
|---|---|
| InChI | InChI=1S/C52H86O22/c1-46(2)13-14-51-22-68-52(29(51)15-46)12-8-28-47(3)10-9-31(48(4,21-55)27(47)7-11-49(28,5)50(52,6)16-30(51)58)71-45-41(33(60)24(57)20-67-45)74-44-38(65)40(73-43-37(64)35(62)34(61)25(17-53)69-43)39(26(18-54)70-44)72-42-36(63)32(59)23(56)19-66-42/h23-45,53-65H,7-22H2,1-6H3/t23-,24-,25+,26-,27?,28?,29?,30-,31+,32-,33+,34+,35-,36+,37+,38-,39-,40-,41-,42?,43-,44+,45?,47+,48+,49-,50+,51-,52+/m1/s1 |
| InChIKey | KWPXWAXXLYHTQG-CILHOAQGSA-N |
| Mol Weight | 1063.2 g/mol |
| Molecular Formula | C52H86O22 |
| Exact Mass | 1062.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJM9uK4P3NL |
|---|---|
| Name | 23-HYDROXY-PROTOPRIMULAGENIN-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H86O22 |
| InChI | InChI=1S/C52H86O22/c1-46(2)13-14-51-22-68-52(29(51)15-46)12-8-28-47(3)10-9-31(48(4,21-55)27(47)7-11-49(28,5)50(52,6)16-30(51)58)71-45-41(33(60)24(57)20-67-45)74-44-38(65)40(73-43-37(64)35(62)34(61)25(17-53)69-43)39(26(18-54)70-44)72-42-36(63)32(59)23(56)19-66-42/h23-45,53-65H,7-22H2,1-6H3/t23-,24-,25+,26-,27?,28?,29?,30-,31+,32-,33+,34+,35-,36+,37+,38-,39-,40-,41-,42?,43-,44+,45?,47+,48+,49-,50+,51-,52+/m1/s1 |
| InChIKey | KWPXWAXXLYHTQG-CILHOAQGSA-N |
| Literature Reference Author | M.AMOROS,R.L.GIRRE |
| Literature Reference Citation | PHYTOCHEM.,26,787(1987) |
| Literature Reference DOI | 10.1016/S0031-9422(00)84787-1 |
| Molecular Weight | 1063.242 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK537 |