Erinacine U

CAT: 0013-GTR19217590-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19217590-02Size:50 mg

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Description

Erinacine U is a cyathane diterpenoid isolated from Hericium erinaceus, demonstrating neurotrophic activity by promoting neurite extension in PC12 cells. It serves as a research tool in neuroscience for studying neuroprotection and nerve regeneration mechanisms in vitro and in vivo.

CAS Number

2234301-72-3

Smiles

C[C@]12C ([C@@]3 ([C@] (C) ([C@@H] (O[C@H]4[C@H] (O) [C@@H] (O) [C@H] (O) CO4) C=C (C=O) [C@H] (OC) C3) CC1) [H]) =C (C (C) C) CC2

Molecular Formula

C26H40O7

Molecular Weight

464.59

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Erinacine U

Erinacine U is a diterpenoid.

CAS Number	2234301-72-3
PubChem CID	139589559
IUPAC Name	(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
Molecular Formula	C26H40O7
Molecular Weight	464.6
XLogP	1.3
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	819

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

InChI

InChI=1S/C26H40O7/c1-14(2)16-6-7-25(3)8-9-26(4)17(21(16)25)11-19(31-5)15(12-27)10-20(26)33-24-23(30)22(29)18(28)13-32-24/h10,12,14,17-20,22-24,28-30H,6-9,11,13H2,1-5H3/t17-,18-,19-,20+,22+,23-,24+,25-,26-/m1/s1

InChIKey

WUQTXLXCAOVKPK-SIZUUNDKSA-N

Chemical Structure

2D Structure

CAS: 2234301-72-3

CID: 139589559

Formula: C26H40O7

MW: 464.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	464.6
XLogP3	1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	464.27740361
Monoisotopic Mass	464.27740361
Topological Polar Surface Area	105 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	819
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BI12252-01	Erinacine A
TBZ0335	Erinacine B
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HY-N11001	Erinacine U
HY-N11004	Erinacine C
TBZ0337	Erinacine E
TBZ0338	Erinacine F

Erinacine U

Chemical Information

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