Beta-Eudesmol 20mg

CAT: 0628-A15412-20Size: 20 mgDry Ice: NoHazardous: No

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CAT#:0628-A15412-20Size:20 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

51317-08-9

Chemical Information

Eudesmol

See also: Larrea tridentata whole (part of).

CAS Number	51317-08-9
PubChem CID	21718037
IUPAC Name	2-[(2R,4aR,8R,8aS)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol
Molecular Formula	C15H28O
Molecular Weight	224.38
XLogP	4.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	258

SMILES

C[C@@H]1CCC[C@]2([C@H]1C[C@@H](CC2)C(C)(C)O)C

InChI

InChI=1S/C15H28O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h11-13,16H,5-10H2,1-4H3/t11-,12-,13+,15-/m1/s1

InChIKey

YJHVMPKSUPGGPZ-GUIRCDHDSA-N

Chemical Structure

2D Structure

CAS: 51317-08-9

CID: 21718037

Formula: C15H28O

MW: 224.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.38
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	224.214015512
Monoisotopic Mass	224.214015512
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	258
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