Llicic Acid

CAT: 1596-AR-L07579-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L07579-02Size:25 Units

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CAS Number

4586-68-9

Molecular Formula

C15H24O3

Molecular Weight

252.35

API Name

Llicol

Chemical Information

Ilicic Acid

Ilicic acid is a eudesmane sesquiterpenoid.

CAS Number	4586-68-9
PubChem CID	11876195
IUPAC Name	2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Molecular Formula	C15H24O3
Molecular Weight	252.35
XLogP	3.2
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Formal Charge	0
Complexity	376

SMILES

C[C@]12CCC[C@@]([C@@H]1C[C@@H](CC2)C(=C)C(=O)O)(C)O

InChI

InChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)/t11-,12-,14-,15-/m1/s1

InChIKey

FXKCXGBBUBCRPU-QHSBEEBCSA-N

Chemical Structure

2D Structure

CAS: 4586-68-9

CID: 11876195

Formula: C15H24O3

MW: 252.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.35
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	252.17254462
Monoisotopic Mass	252.17254462
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	376
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P03267-01	Pyrazinoic Acid (Pyrazinecarboxylic Acid)
AR-H01202-01	Hydroquinonesulfonic Acid (Dobesilic Acid)
AR-A05406-01	Acetic Acid Isobutyric Acid Anhydride
AR-A05407-01	Acetic Acid Butyric Acid Anhydride
AR-L07578-01	Llicol
AR-F09711-01	Docosanoic Acid-d3 (Behenic Acid-d3)
AR-F09706-01	Dodecanoic Acid-d2 (Lauric Acid-d2)
AR-E09459-01	9 (Z) -Eicosenoic Acid (Gadoleic Acid)
AR-P03268-01	Pyrazinoic Acid-d3 (Pyrazinecarboxylic Acid-d3)
AR-M01254-01	Mefenamic Acid Impurity D (Benzoic Acid)

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