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Linearol

CAT: 0013-GTR19198949-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198949-01Size:25 mg
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Description
Linearol
CAS Number
37720-82-4
Field of Research
Cell Biology
Smiles
[H][C@@]12C[C@]3 (CC1=C) [C@@H] (O) C[C@]1 ([H]) [C@@] (C) (COC (C) =O) [C@H] (O) CC[C@@]1 (C) [C@]3 ([H]) CC2
Molecular Formula
C22H34O4
Molecular Weight
362.50
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Linearol

3,7-Dihydroxykaur-16-en-19-yl acetate has been reported in Sideritis athoa with data available.

CAS Number37720-82-4
PubChem CID497896
IUPAC Name[(1R,2S,5S,6R,9S,10S,13S)-2,6-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Molecular FormulaC22H34O4
Molecular Weight362.5
XLogP3.2
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity630
SMILES
CC(=O)OC[C@]1([C@@H](CC[C@@]2(C1C[C@@H]([C@]34[C@H]2CC[C@@H](C3)C(=C)C4)O)C)O)C
InChI
InChI=1S/C22H34O4/c1-13-10-22-11-15(13)5-6-16(22)20(3)8-7-18(24)21(4,12-26-14(2)23)17(20)9-19(22)25/h15-19,24-25H,1,5-12H2,2-4H3/t15-,16-,17?,18+,19-,20-,21+,22-/m0/s1
InChIKey
FOSUPIBQARPELG-FOYJWTFCSA-N
Chemical Structure
2D Structure
2D structure of Linearol
CAS: 37720-82-4
CID: 497896
Formula: C22H34O4
MW: 362.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass362.24570956
Monoisotopic Mass362.24570956
Topological Polar Surface Area66.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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