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Flavidulols B

CAT: 0013-GTR19255262-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255262-01Size:10 mg
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Description
Flavidulols B inhibits the proliferation of mouse lymphocytes.
CAS Number
117568-33-9
Smiles
O (C) C1=C2C (C[C@] (C=C) (C) [C@@H] (C (C) =C) C2) =C (O) C=C1
Molecular Formula
C17H22O2
Molecular Weight
258.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

rel-(6R,7S)-7-Ethenyl-5,6,7,8-tetrahydro-4-methoxy-7-methyl-6-(1-methylethenyl)-1-naphthalenol
CAS Number117568-33-9
PubChem CID163084674
IUPAC Name(6R,7S)-7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol
Molecular FormulaC17H22O2
Molecular Weight258.35
XLogP4.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity362
SMILES
CC(=C)[C@H]1CC2=C(C=CC(=C2C[C@@]1(C)C=C)O)OC
InChI
InChI=1S/C17H22O2/c1-6-17(4)10-13-12(9-14(17)11(2)3)16(19-5)8-7-15(13)18/h6-8,14,18H,1-2,9-10H2,3-5H3/t14-,17-/m1/s1
InChIKey
PETYPULCQDOVJC-RHSMWYFYSA-N
Chemical Structure
2D Structure
2D structure of rel-(6R,7S)-7-Ethenyl-5,6,7,8-tetrahydro-4-methoxy-7-methyl-6-(1-methylethenyl)-1-naphthalenol
CAS: 117568-33-9
CID: 163084674
Formula: C17H22O2
MW: 258.35
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.35
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass258.161979940
Monoisotopic Mass258.161979940
Topological Polar Surface Area29.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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