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Chemical structure of Taccalonolide C

GC61312

Taccalonolide C

Also known as [(1R,2S,3S,4R,6S,8S,10S,11R,12R,13S,14S,15R,16R,17S,18R,21S,22S,25R)-4,11,15-triacetyloxy-22-hydroxy-12,16,18,21,22-pentamethyl-5,20,23-trioxo-9,24-dioxaheptacyclo[15.7.1.02,16.03,13.06,12.08,10.021,25]pentacosan-14-yl] acetate

Taccalonolides C is an anti-cancer agent

ChemicalCAS117803-96-0MW702.74FormulaC36H46O14
CAS number
117803-96-0
Molecular weight
702.74
Formula
C36H46O14
InChIKey
RXQVUONAHNHYNF-XSUQWDDVSA-N
Catalogue number
GC61312
Brand
GLPBIO
Computed properties PubChem CID 132076228 · XLogP 1.6 · TPSA 198 Ų · H-bond donors 1
XLogP
1.6
TPSA
198 Ų
H-bond donors
1
H-bond acceptors
14
Rotatable bonds
8
Heavy atoms
50

SMILES C[C@@H]1CC(=O)[C@]2([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3OC(=O)[C@@]2(C)O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5OC(=O)C)C)C)C

Computed descriptors from PubChem (CID 132076228), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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