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Chemical structure of Ponasterone A

GC44667

Ponasterone A

Also known as (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Ponasterone A is an analog of 20-hydroxy ecdysone, the insect steroid hormone that regulates the metamorphosis of Drosophila

ChemicalCAS13408-56-5MW464.6FormulaC27H44O6
CAS number
13408-56-5
Molecular weight
464.6
Formula
C27H44O6
Solubility
DMF： 3 mg/mL,DMSO： 1 mg/mL,Ethanol： 5 mg/mL,Ethanol：PBS (pH 7·2)(1：2)： 0·3 mg/mL,Methanol： Soluble
InChIKey
PJYYBCXMCWDUAZ-JJJZTNILSA-N
Catalogue number
GC44667
Brand
GLPBIO
Computed properties PubChem CID 115127 · XLogP 1.9 · TPSA 118 Ų · H-bond donors 5
XLogP
1.9
TPSA
118 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33

SMILES CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O

Computed descriptors from PubChem (CID 115127), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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