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Chemical structure of Erinacine U

GC76266

Erinacine U

Also known as (3aR,5aR,6S,9R,10aR)-9-methoxy-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]indene-8-carbaldehyde

Erinacine U is a cyanogen diterpene isolated from Hericium erinaceus, which has neurotrophic activity and has obvious neurite growth-promoting effect on PC12 cells

ChemicalCAS2234301-72-3MW464.59FormulaC26H40O7
CAS number
2234301-72-3
Molecular weight
464.59
Formula
C26H40O7
Solubility
DMSO： 4·65 mg/mL (10·01 mM; Need ultrasonic and warming)
InChIKey
WUQTXLXCAOVKPK-SIZUUNDKSA-N
Catalogue number
GC76266
Brand
GLPBIO
Computed properties PubChem CID 139589559 · XLogP 1.3 · TPSA 105 Ų · H-bond donors 3
XLogP
1.3
TPSA
105 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
33

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

Computed descriptors from PubChem (CID 139589559), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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