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Chemical structure of Tigilanol tiglate

GC74837

Tigilanol tiglate

Also known as [(1R,2S,4R,5S,6S,10S,11R,12R,13R,14S,16R)-5,6,11-trihydroxy-4-(hydroxymethyl)-8,12,15,15-tetramethyl-13-[(E)-2-methylbut-2-enoyl]oxy-7-oxo-3-oxapentacyclo[9.5.0.02,4.06,10.014,16]hexadec-8-en-14-yl] (2S)-2-methylbutanoate

Tigilanol tiglate (EBC-46) is a protein kinase C (PKC)/C1 domain activator

ChemicalCAS943001-56-7MW562.65FormulaC30H42O10
CAS number
943001-56-7
Molecular weight
562.65
Formula
C30H42O10
InChIKey
YLQZMOUMDYVSQR-FOWZUWBHSA-N
Catalogue number
GC74837
Brand
GLPBIO
Computed properties PubChem CID 92135637 · XLogP 2.1 · TPSA 163 Ų · H-bond donors 4
XLogP
2.1
TPSA
163 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
40

SMILES CC[C@H](C)C(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3[C@H]4[C@](O4)([C@H]([C@]5([C@H]([C@]3([C@@H]([C@H]2OC(=O)/C(=C/C)/C)C)O)C=C(C5=O)C)O)O)CO

Computed descriptors from PubChem (CID 92135637), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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