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Cytosporin C

CAT: 0013-GTR19255825-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255825-01Size:10 mg
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Description
Cytosporin C is a hexahydrobenzopyran derivative and an angiotensin II receptor inhibitor with strong inhibitory activity against AT2, exhibiting an IC50 of 30-40 μM.
CAS Number
175521-92-3
Field of Research
Metabolism Research
Smiles
O=CC1=C (CCCCC) C (O) C2OC32CC (O) C (OC13) (C) C
Molecular Formula
C17H26O5
Molecular Weight
310.385
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cytosporin C

Cytosporin C is a member of oxanes.

CAS Number175521-92-3
PubChem CID139585157
IUPAC Name(1aR,2S,4aR,7R)-2,7-dihydroxy-6,6-dimethyl-3-pentyl-2,4a,7,8-tetrahydro-1aH-oxireno[2,3-e]chromene-4-carbaldehyde
Molecular FormulaC17H26O5
Molecular Weight310.4
XLogP0.6
Topological Polar Surface Area79.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity497
SMILES
CCCCCC1=C([C@@H]2C3(C[C@H](C(O2)(C)C)O)[C@@H]([C@H]1O)O3)C=O
InChI
InChI=1S/C17H26O5/c1-4-5-6-7-10-11(9-18)14-17(15(22-17)13(10)20)8-12(19)16(2,3)21-14/h9,12-15,19-20H,4-8H2,1-3H3/t12-,13+,14-,15-,17?/m1/s1
InChIKey
HTCLXJMGGBVISX-JPEUKKKJSA-N
Chemical Structure
2D Structure
2D structure of Cytosporin C
CAS: 175521-92-3
CID: 139585157
Formula: C17H26O5
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass310.17802393
Monoisotopic Mass310.17802393
Topological Polar Surface Area79.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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