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Chemical structure of Omtriptolide

GC33857

Omtriptolide

Also known as 4-[[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-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-8-yl]oxy]-4-oxobutanoic acid

Omtriptolide (PG490-88) is a derivative prodrug of triptolide purified from the Chinese herb

ChemicalCAS195883-06-8MW460.47FormulaC24H28O9
CAS number
195883-06-8
Molecular weight
460.47
Formula
C24H28O9
Solubility
H2O ： 1·39 mg/mL (3·02 mM; Need ultrasonic)
InChIKey
HROMYAWHLUOUPY-AHCCQAQQSA-N
Catalogue number
GC33857
Brand
GLPBIO
Computed properties PubChem CID 6918522 · XLogP 0.2 · TPSA 127 Ų · H-bond donors 1
XLogP
0.2
TPSA
127 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
33

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]2OC(=O)CCC(=O)O)O7)COC6=O)C

Computed descriptors from PubChem (CID 6918522), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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