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Catalog Number | ACM38748322-2 |
CAS Number | 38748-32-2 |
Structure | ![]() |
Synonyms | Triptolid |
IUPAC Name | (1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-Hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one |
Molecular Weight | 360.4 |
Molecular Formula | C20H24O6 |
Canonical SMILES | CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C |
InChI | InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1 |
InChI Key | DFBIRQPKNDILPW-CIVMWXNOSA-N |
Melting Point | 226-227 °C |
Purity | 98%+(HPLC) |
Solubility | Soluble in water, methanol, ethyl acetate, and chloroform. |
Appearance | White powder |
Storage | Store at 4 °C, sealed, away from light (valid for 2 years under this condition). |
Complexity | 819 |
Exact Mass | 360.15728848 |
Heavy Atom Count | 26 |
Isomeric SMILES | CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C |
Monoisotopic Mass | 360.15728848 |
Topological Polar Surface Area | 84.1Ų |
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