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Chemical structure of Triptonine B

GC39088

Triptonine B

Also known as [(1R,3S,15S,18R,19S,20S,21S,22R,23S,24S,25S,26R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-15-(furan-3-carbonyloxy)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate

Triptonine B, a sesquiterpene pyridine alkaloid, inhibits HIV replication in H9 lymphocytes with an EC50?value of ＜0·10 μg/mL

ChemicalCAS168009-85-6MW967.87FormulaC46H49NO22
CAS number
168009-85-6
Molecular weight
967.87
Formula
C46H49NO22
Solubility
Soluble in DMSO
InChIKey
RZVUCQZHOKQLFV-KEVZPFPOSA-N
Catalogue number
GC39088
Brand
GLPBIO
Computed properties PubChem CID 133562436 · XLogP 1.6 · TPSA 305 Ų · H-bond donors 1
XLogP
1.6
TPSA
305 Ų
H-bond donors
1
H-bond acceptors
23
Rotatable bonds
17
Heavy atoms
69

SMILES CC(=O)OC[C@@]12[C@H]([C@H]([C@H]3[C@@H]([C@@]14[C@]([C@@H]([C@H]([C@H]2OC(=O)C)OC(=O)C5=COC=C5)OC(=O)[C@@](CCC6=C(C=CC=N6)C(=O)OC[C@]3(O4)C)(C)OC(=O)C7=COC=C7)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

Computed descriptors from PubChem (CID 133562436), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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