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Chemical structure of Erinacine P

GC71896

Erinacine P

Also known as [(3aR,5aR,6S,9R,10aR)-8-formyl-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]inden-9-yl] acetate

Erinacine P (compoud 1) is a parental metabolite of luteolin

ChemicalCAS291532-17-7MW492.6FormulaC27H40O8
CAS number
291532-17-7
Molecular weight
492.6
Formula
C27H40O8
InChIKey
SEBFACPAABUJNW-JGSLRZJPSA-N
Catalogue number
GC71896
Brand
GLPBIO
Computed properties PubChem CID 15886639 · XLogP 1.4 · TPSA 123 Ų · H-bond donors 3
XLogP
1.4
TPSA
123 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
35

SMILES CC(C)C1=C2[C@H]3C[C@H](C(=C[C@@H]([C@@]3(CC[C@]2(CC1)C)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)C=O)OC(=O)C

Computed descriptors from PubChem (CID 15886639), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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