(-) -Epicedrol

CAT: 0926-UAA90373-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-UAA90373-02Size:10 mg

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CAS Number

19903-73-2

MDL Number

MFCD00077758

Smiles

CN1C (=O) C (=C (C=N1) Br) NCC2=CC=CC=C2

Molecular Formula

C15H26O

Molecular Weight

222.37 g/mol

Controlled

Chemical Information

Epi-cedrol

Epi-cedrol is the 8S-epimer of cedrol. It has a role as a plant metabolite. It is a tertiary alcohol and a cedrane sesquiterpenoid.

CAS Number	19903-73-2
PubChem CID	6713078
IUPAC Name	(1S,2R,5S,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol
Molecular Formula	C15H26O
Molecular Weight	222.37
XLogP	3.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	321

SMILES

C[C@@H]1CC[C@@H]2[C@]13CC[C@]([C@H](C3)C2(C)C)(C)O

InChI

InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1

InChIKey

SVURIXNDRWRAFU-MIBAYGRRSA-N

Chemical Structure

2D Structure

CAS: 19903-73-2

CID: 6713078

Formula: C15H26O

MW: 222.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.37
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	222.198365449
Monoisotopic Mass	222.198365449
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	321
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
TRC-A585195-50MG	Epicedrol