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Chemical structure of ER-076349

GC74126

ER-076349

Also known as (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-2,3-dihydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one

ER-076349 is an inhibitor of tubulin polymerization, induces G2-M cell cycle arrest, and disrupts mitotic spindles

ChemicalCAS253128-15-3MW730.88FormulaC40H58O12
CAS number
253128-15-3
Molecular weight
730.88
Formula
C40H58O12
InChIKey
SOGFSQSGBFDQFA-JBQZKEIOSA-N
Catalogue number
GC74126
Brand
GLPBIO
Computed properties PubChem CID 11297138 · XLogP 1.4 · TPSA 141 Ų · H-bond donors 2
XLogP
1.4
TPSA
141 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
4
Heavy atoms
52

SMILES C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CO)O

Computed descriptors from PubChem (CID 11297138), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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