Florilenalin

CAT: 0013-GTR19221914-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19221914-02Size:5 mg

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Description

Florilenalin (CAS 54964-49-7) is a sesquiterpene lactone natural product isolated from Helenium species. It serves as a reference standard in phytochemical research and has been investigated in vitro for its potential biological activities.

CAS Number

54964-49-7

Smiles

C[C@]1 (O) [C@]2 ([C@@] (C (=C) C[C@@]3 ([C@] (C2) (C (=C) C (=O) O3) [H]) [H]) ([C@@H] (O) C1) [H]) [H]

Molecular Formula

C15H20O4

Molecular Weight

264.32

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Florilenalin

Florilenalin is a sesquiterpene lactone.

CAS Number	54964-49-7
PubChem CID	442243
IUPAC Name	(3aR,5aS,6S,8R,8aR,9aR)-6,8-dihydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
Molecular Formula	C15H20O4
Molecular Weight	264.32
XLogP	0.9
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	469

SMILES

C[C@]1(C[C@@H]([C@H]2[C@H]1C[C@H]3[C@@H](CC2=C)OC(=O)C3=C)O)O

InChI

InChI=1S/C15H20O4/c1-7-4-12-9(8(2)14(17)19-12)5-10-13(7)11(16)6-15(10,3)18/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13-,15-/m1/s1

InChIKey

RBLYUGWIFLXCPD-VZGVWICMSA-N

Chemical Structure

2D Structure

CAS: 54964-49-7

CID: 442243

Formula: C15H20O4

MW: 264.32

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	264.32
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	264.13615911
Monoisotopic Mass	264.13615911
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	469
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N8734	Florilenalin
T123874-01	2beta- (Isobutyryloxy) florilenalin
MBS5801682	2beta-(Isobutyryloxy)florilenalin

Florilenalin

Chemical Information

Alternative Products

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