Voleneol

CAT: 0926-VCA38988-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-VCA38988-02Size:2 mg

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CAS Number

70389-88-7

MDL Number

MFCD20260898

Smiles

CC (C) C1CCC2 (C (CCC (=C) C2C1O) O) C

Molecular Formula

C15H26O2

Molecular Weight

238.37 g/mol

Controlled

Chemical Information

Voleneol

1beta,6alpha-dihydroxy-4(14)-eudesmene is a eudesmane sesquiterpenoid. It has a role as a metabolite.

CAS Number	70389-88-7
PubChem CID	14137570
IUPAC Name	(1S,2S,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
Molecular Formula	C15H26O2
Molecular Weight	238.37
XLogP	2.6
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	310

SMILES

CC(C)[C@@H]1CC[C@]2([C@@H](CCC(=C)[C@@H]2[C@H]1O)O)C

InChI

InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15-/m0/s1

InChIKey

WKKJGHCXVKEJNU-QRTUWBSPSA-N

Chemical Structure

2D Structure

CAS: 70389-88-7

CID: 14137570

Formula: C15H26O2

MW: 238.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.37
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	238.193280068
Monoisotopic Mass	238.193280068
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	310
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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
HY-N1078	Voleneol