Ilicic acid

CAT: 0926-EAA58668-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-EAA58668-02Size:5 mg

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CAS Number

4586-68-9

MDL Number

MFCD20260423

Smiles

CC12CCCC (C1CC (CC2) C (=C) C (=O) O) (C) O

Molecular Formula

C15H24O3

Molecular Weight

252.35 g/mol

Controlled

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
FR11870-01	Ribonucleic acid free acid
G-3600-01	D-Glucuronic acid, free acid
HXC53910	Acid-PEG2-SS-PEG2-acid
HXC88802-01	(3R) -3-Aminodecanoic acid, trifluoroacetic acid
YGA93275-01	Gambogenic acid
YEA13505-01	Uncaric acid
SEA02059-01	Anwuweizonic acid
SCA90519	Perfluorohexadecanoic acid
SAA99042-01	Oleanonic acid
RQB26022-01	Kadsuracoccinic acid A

Catalog	Name
T4802-01	Ilicic acid
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)