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Chemical structure of 26-Deoxyactein

GC42091

26-Deoxyactein

Also listed as 23-epi-26-Deoxyactein

23-epi-26-Deoxyactein is a constituent isolated from Cimicifuga racemosa, prevents TCDD-induced osteoblasts damage

ChemicalCAS264624-38-6MW660.8FormulaC37H56O10
CAS number
264624-38-6
Molecular weight
660.8
Formula
C37H56O10
Solubility
Water： soluble
InChIKey
GCMGJWLOGKSUGX-RBKCHLQLSA-N
Catalogue number
GC42091
Brand
GLPBIO
Computed properties PubChem CID 10974362 · XLogP 3.9 · TPSA 136 Ų · H-bond donors 3
XLogP
3.9
TPSA
136 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
47

SMILES C[C@@H]1C[C@@]2([C@H]3[C@](O3)(CO2)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C

Computed descriptors from PubChem (CID 10974362), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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