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Chemical structure of Euphornin

GC74252

Euphornin

Also known as [(1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

Euphornin is a anticaner agent, that can be isolated from E· helioscopia

ChemicalCAS80454-47-3MW584.7FormulaC33H44O9
CAS number
80454-47-3
Molecular weight
584.7
Formula
C33H44O9
Solubility
DMSO ： 100 mg/mL (171·03 mM; Need ultrasonic)
InChIKey
BRVXVMOWTHQKHC-NHTJSLHDSA-N
Catalogue number
GC74252
Brand
GLPBIO
Computed properties PubChem CID 6440619 · XLogP 5.1 · TPSA 125 Ų · H-bond donors 1
XLogP
5.1
TPSA
125 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
42

SMILES C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)/C=C(\[C@@H](C[C@H](C(/C=C\[C@@H]([C@@H]2OC(=O)C)C)(C)C)OC(=O)C)OC(=O)C)/C)O

Computed descriptors from PubChem (CID 6440619), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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