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Chemical structure of NKH 477

GC12640

NKH 477

Also known as [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate;hydrochloride

adenylyl cyclase activator

ChemicalCAS138605-00-2MW546.1FormulaC27H43NO8·HCl
CAS number
138605-00-2
Molecular weight
546.1
Formula
C27H43NO8·HCl
Solubility
DMSO： ≥125 mg/mL；H2O ： ≥ 20 mg/mL
InChIKey
VIRRLEDAYYYTOD-YHEOSNBFSA-N
Catalogue number
GC12640
Brand
GLPBIO
Computed properties PubChem CID 444028 · TPSA 123 Ų · H-bond donors 3 · H-bond acceptors 9
TPSA
123 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
37

SMILES CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)CCN(C)C.Cl

Computed descriptors from PubChem (CID 444028), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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