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Kauran-16,17-diol

CAT: 0013-GTR19168239-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168239-01Size:1 mg
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Description
Kauran-16,17-diol is a natural diterpenoid that demonstrates anti-tumor and pro-apoptotic activity. Its mechanism involves the inhibition of nitric oxide (NO) production, showing an IC50 of 17 μM in LPS-stimulated RAW 264.7 macrophage cells. This compound is a useful research tool for studying inflammation-associated cancer pathways in vitro.
CAS Number
16836-31-0
Product Name Alternative
Apoptosis, inhibit, kauran16,17diol, kauran-16,17-diol, kauran 16,17 diol, Inhibitor
Field of Research
Cell Biology
Purity
99.87% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:1 mg/mL (3.26 mM) ; DMSO:12 mg/mL (39.15 mM)
Smiles
C[C@]12[C@]3 ([C@@]4 (C[C@@] (CO) (O) [C@@] (C4) (CC3) [H]) CC[C@@]1 (C (C) (C) CCC2) [H]) [H]
Molecular Formula
C20H34O2
Molecular Weight
306.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kauran-16,17-diol

isolated from Fritillaria anhuiensis

CAS Number16836-31-0
PubChem CID13816757
IUPAC Name(1S,4R,9R,10R,13S,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
Molecular FormulaC20H34O2
Molecular Weight306.5
XLogP4.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity472
SMILES
C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2CC[C@@H](C3)[C@](C4)(CO)O)(C)C
InChI
InChI=1S/C20H34O2/c1-17(2)8-4-9-18(3)15(17)7-10-19-11-14(5-6-16(18)19)20(22,12-19)13-21/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16-,18+,19-,20-/m0/s1
InChIKey
LCYWCTWYVKIBSA-ZYLYKIMZSA-N
Chemical Structure
2D Structure
2D structure of Kauran-16,17-diol
CAS: 16836-31-0
CID: 13816757
Formula: C20H34O2
MW: 306.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.5
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass306.255880323
Monoisotopic Mass306.255880323
Topological Polar Surface Area40.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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