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Chemical structure of Adynerin

GC60041

Adynerin

Also known as 3-[(1S,3R,6R,7R,10R,11S,14S,16R)-14-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]-2H-furan-5-one

Adynerin is a natural steroid found in the herbs of Nerium oleander

ChemicalCAS35109-93-4MW516.67FormulaC30H44O7
CAS number
35109-93-4
Molecular weight
516.67
Formula
C30H44O7
InChIKey
BYZQVAOKDQTHHP-QFUJVLJYSA-N
Catalogue number
GC60041
Brand
GLPBIO
Computed properties PubChem CID 441840 · XLogP 3.1 · TPSA 86.8 Ų · H-bond donors 1
XLogP
3.1
TPSA
86.8 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
37

SMILES C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@]45[C@@H]3CC[C@]6([C@]4(O5)CC[C@@H]6C7=CC(=O)OC7)C)C)OC)O

Computed descriptors from PubChem (CID 441840), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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