Triptolide

Triptolide

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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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