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(+) -Sclareol oxide

CAT: 0013-GTR19279599-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279599-02Size:10 mg
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Description
(+) -Sclareol oxide is a compound isolated from clary sage (Salvia sclarea) essential oil. It can be used in the synthesis of puupehenone-related bioactive metabolites.
CAS Number
5153-92-4
Smiles
C[C@@]12[C@@]3 ([C@@] (C) (CC[C@]1 (C (C) (C) CCC2) [H]) OC (C) =CC3) [H]
Molecular Formula
C18H30O
Molecular Weight
262.44
Notes
For research use only.

Chemical Information

(+)-Sclareol oxide
CAS Number5153-92-4
PubChem CID7057250
IUPAC Name(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene
Molecular FormulaC18H30O
Molecular Weight262.4
XLogP5.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity408
SMILES
CC1=CC[C@@H]2[C@]3(CCCC([C@@H]3CC[C@]2(O1)C)(C)C)C
InChI
InChI=1S/C18H30O/c1-13-7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)19-13/h7,14-15H,6,8-12H2,1-5H3/t14-,15+,17-,18+/m0/s1
InChIKey
LAEIZWJAQRGPDA-CIRFHOKZSA-N
Chemical Structure
2D Structure
2D structure of (+)-Sclareol oxide
CAS: 5153-92-4
CID: 7057250
Formula: C18H30O
MW: 262.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.4
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass262.229665576
Monoisotopic Mass262.229665576
Topological Polar Surface Area9.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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