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Flavidulols C

CAT: 0931-TN10797-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10797-02Size:50 mg
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CAS Number
117568-34-0
Target
Others
Related Pathways
Others
Bioactivity
Flavidulols C exhibits inhibitory effects on the proliferation of mouse lymphocytes.
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[2,2a(2)-Bibenzocyclodecene]-1,1a(2)-diol, 5,5a(2),8,8a(2),9,9a(2),12,12a(2)-octahydro-4,4a(2)-dimethoxy-7,7a(2),11,11a(2)-tetramethyl-, (6E,6a(2)E,10Z,10a(2)Z)-
CAS Number117568-34-0
PubChem CID165366825
IUPAC Name(6E,10Z)-2-[(6E,10Z)-1-hydroxy-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-2-yl]-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol
Molecular FormulaC34H42O4
Molecular Weight514.7
XLogP7.4
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity839
SMILES
C/C/1=C\CC2=C(C=C(C(=C2C/C(=C\CC1)/C)O)C3=CC(=C4C(=C3O)C/C(=C\CC/C(=C/C4)/C)/C)OC)OC
InChI
InChI=1S/C34H42O4/c1-21-9-7-11-23(3)17-27-25(15-13-21)31(37-5)19-29(33(27)35)30-20-32(38-6)26-16-14-22(2)10-8-12-24(4)18-28(26)34(30)36/h11-14,19-20,35-36H,7-10,15-18H2,1-6H3/b21-13+,22-14+,23-11-,24-12-
InChIKey
FFUHECWLQYKEQO-VWJDWPEPSA-N
Chemical Structure
2D Structure
2D structure of [2,2a(2)-Bibenzocyclodecene]-1,1a(2)-diol, 5,5a(2),8,8a(2),9,9a(2),12,12a(2)-octahydro-4,4a(2)-dimethoxy-7,7a(2),11,11a(2)-tetramethyl-, (6E,6a(2)E,10Z,10a(2)Z)-
CAS: 117568-34-0
CID: 165366825
Formula: C34H42O4
MW: 514.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.7
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass514.30830982
Monoisotopic Mass514.30830982
Topological Polar Surface Area58.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity839
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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