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Linderane

CAT: 0013-GTR19159679-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159679-01Size:200 mg
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Description
Linderane is a cytochrome P450 2C9 inhibitor from Lindera aggregata (Sims) .
CAS Number
13476-25-0
Product Name Alternative
Linderane |
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (384.19 mM)
Smiles
CC1=CCCC23C (O2) C (C4=C (C1) OC=C4C) OC3=O
Molecular Formula
C15H16O4
Molecular Weight
260.28
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(10S,10aS, E) -5,9-dimethyl-3,6,10,10a-tetrahydro-2H-10,1a- (epoxymethano) oxireno[2',3':4,5]cyclodeca[1,2-b]furan-12-one

Chemical Information

Linderane

Linderane is a member of dioxanes.

CAS Number13476-25-0
PubChem CID6915739
IUPAC Name(1S,4E,12S,13S)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,7(11),9-trien-15-one
Molecular FormulaC15H16O4
Molecular Weight260.28
XLogP1.9
Topological Polar Surface Area52
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity457
SMILES
C/C/1=C\CC[C@@]23[C@@H](O2)[C@H](C4=C(C1)OC=C4C)OC3=O
InChI
InChI=1S/C15H16O4/c1-8-4-3-5-15-13(19-15)12(18-14(15)16)11-9(2)7-17-10(11)6-8/h4,7,12-13H,3,5-6H2,1-2H3/b8-4+/t12-,13-,15-/m0/s1
InChIKey
KBMSVODXFLAQNJ-DXGHHDSJSA-N
Chemical Structure
2D Structure
2D structure of Linderane
CAS: 13476-25-0
CID: 6915739
Formula: C15H16O4
MW: 260.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.28
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass260.10485899
Monoisotopic Mass260.10485899
Topological Polar Surface Area52 Ų
Heavy Atom Count19
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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