Minnelide
disodium;[(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]oxymethyl phosphate
Molecular Identity
Minnelide
disodium;[(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]oxymethyl phosphate
PubChem CID: 46203139
2D Structure
Properties
C21H25Na2O10P
Molecular Formula
514.40
Molecular Weight
g/mol
514.0981
Exact Mass
Da
146
TPSA
May have limited oral absorption
0
H-Bond Donors
10
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(16)
Minnelide1254702-87-81CIV2UMO4014-O-Phosphonooxymethyltriptolide disodium saltTrisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-C)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-8b-methyl-6a-(1-methylethyl)-6-((phosphonooxy)methoxy)-, sodium salt (1:2), (3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-RefChem:158960UNII-1CIV2UMO40disodium;[(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]oxymethyl phosphateTriptolide Impurity 1orb1709128CHEMBL3740500SCHEMBL29425342DA-75551F82363F986890
Data from PubChem (NCBI)
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