Pterosin C

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Description

Pterosin C is a natural product isolated and purified from the rhizome Pteridium aquilinum (L.) Kuhn.

CAS Number

35938-43-3

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

234.29

Molecular Formula

C14H18O3

Notes

Research use only, not for human use.

Receptor

——

Chemical Information

Pterosin C

(2S,3S)-pterosin C is a member of indanones. It has a role as a metabolite.

CAS Number	35938-43-3
PubChem CID	186209
IUPAC Name	(2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
Molecular Formula	C14H18O3
Molecular Weight	234.29
XLogP	1.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	302

SMILES

C[C@H]1[C@@H](C2=C(C1=O)C(=C(C(=C2)C)CCO)C)O

InChI

InChI=1S/C14H18O3/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,15-16H,4-5H2,1-3H3/t9-,13-/m0/s1

InChIKey

QQPCNRKHGFIVLH-ZANVPECISA-N

Chemical Structure

2D Structure

CAS: 35938-43-3

CID: 186209

Formula: C14H18O3

MW: 234.29

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	234.29
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	234.125594432
Monoisotopic Mass	234.125594432
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	302
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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Catalog	Name
XP173000-01	Pterosin A
T124956-01	Pterosin G
HY-N1571	Pterosin D
MBS5753743	Pterosin B
TN5341	Pterosin Z
MBS3611834-01	Pterosin C

Pterosin C

Chemical Information

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