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ZK 136295

CAT: 0931-T202164-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202164-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135768-83-1
Bioactivity
ZK 136295 is a novel estrogen. When taken orally, it shows reduced systemic availability and high variability similar to ethinylestradiol. Doubling the dose of ZK 136295 can increase its systemic availability, emphasizing the importance of dosage in enhancing bioavailability.
Smiles
C[C@@]12[C@]3([C@]4([C@](CC1)(C=5C(CC4)=CC(O)=CC5)[H])[H])C[C@@H](O)[C@@]2(O)CC3
Molecular Formula
C20H26O3
Molecular Weight
314.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyclotriol
CAS Number135768-83-1
PubChem CID15967764
IUPAC Name(1S,2R,11S,14S,15R,16R)-14-methylpentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-5(10),6,8-triene-7,15,16-triol
Molecular FormulaC20H26O3
Molecular Weight314.4
XLogP3.1
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity521
SMILES
C[C@]12CC[C@H]3[C@H]([C@@]14CC[C@@]2([C@@H](C4)O)O)CCC5=C3C=CC(=C5)O
InChI
InChI=1S/C20H26O3/c1-18-7-6-15-14-4-3-13(21)10-12(14)2-5-16(15)19(18)8-9-20(18,23)17(22)11-19/h3-4,10,15-17,21-23H,2,5-9,11H2,1H3/t15-,16-,17-,18+,19+,20+/m1/s1
InChIKey
PAMNOUDFJQSYMD-MUJBESKKSA-N
Chemical Structure
2D Structure
2D structure of Cyclotriol
CAS: 135768-83-1
CID: 15967764
Formula: C20H26O3
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass314.18819469
Monoisotopic Mass314.18819469
Topological Polar Surface Area60.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity521
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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CatalogName
GTR19242385-01ZK 136295

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