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Ustusol A

CAT: 0926-AXB54302-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-AXB54302-02Size:10 mg
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CAS Number
1175543-02-8
Smiles
CC1=CC (=O) C2C (C (CCC2 (C1 (CO) O) C) O) (C) C
Molecular Formula
C15H24O4
Molecular Weight
268.35 g/mol
Controlled
No

Chemical Information

Ustusol A

Ustusol A is a member of cyclohexenones.

CAS Number1175543-02-8
PubChem CID44480213
IUPAC Name(4R,4aS,7S,8aS)-4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
Molecular FormulaC15H24O4
Molecular Weight268.35
XLogP0.2
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity439
SMILES
CC1=CC(=O)[C@@H]2[C@@]([C@]1(CO)O)(CC[C@@H](C2(C)C)O)C
InChI
InChI=1S/C15H24O4/c1-9-7-10(17)12-13(2,3)11(18)5-6-14(12,4)15(9,19)8-16/h7,11-12,16,18-19H,5-6,8H2,1-4H3/t11-,12-,14-,15+/m0/s1
InChIKey
YMOQABSTCGJNMC-NZBPQXDJSA-N
Chemical Structure
2D Structure
2D structure of Ustusol A
CAS: 1175543-02-8
CID: 44480213
Formula: C15H24O4
MW: 268.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.35
XLogP30.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass268.16745924
Monoisotopic Mass268.16745924
Topological Polar Surface Area77.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity439
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

Alternative Products

CatalogName
TN5208Ustusol A
TN5209Ustusol C
GTR19180344Ustusol H4

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