(+) -Cedrol

CAT: 0127-BIA0126-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-BIA0126-01Size:25 g

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CAS Number

77-53-2

MDL Number

MFCD00062952

Purity

98%

Smiles

C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O

Chemical Information

Cedrol

Cedrol is a tertiary alcohol and a cedrane sesquiterpenoid.

CAS Number	77-53-2
PubChem CID	65575
IUPAC Name	(1S,2R,5S,7R,8R)-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-OGMFBOKVSA-N

Chemical Structure

2D Structure

CAS: 77-53-2

CID: 65575

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
BUP17344	Cedryl acetate

Catalog	Name
C6943-100	Cedrol
bs-82857C-01	(+) -Cedrol
GTR19169595-01	Cedrol (+)
TRC-C228820-1G	(+)-Cedrol
HY-N2071R-01	Cedrol (Standard)
C05950-01	Cedrol 99%
HY-W109299-01	Cedrol methyl ether
TBI4405-250MG	Cedrol (+), Anticancer natural product
MBS1398889	Recombinant Artemisia annua Epi-cedrol synthase (ECS1), partial