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Schisansphenin B

CAT: 0013-GTR19227974-04Size: 4 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227974-04Size:4 mg
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Description
Schisansphenin B (CAS 1357469-93-2) is a bioactive small molecule used in life science research. It serves as a valuable tool compound for investigating biological mechanisms in both in vitro and in vivo experimental models.
CAS Number
1357469-93-2
Smiles
CC (C) [C@@H]1CCC (=C) [C@@]11CCC (=CC1) C (O) =O
Molecular Formula
C15H22O2
Molecular Weight
234.339
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Schisansphenin B
CAS Number1357469-93-2
PubChem CID155978882
IUPAC Name(1S,5R)-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene-8-carboxylic acid
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP3.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity378
SMILES
CC(C)[C@@H]1CCC(=C)[C@@]12CCC(=CC2)C(=O)O
InChI
InChI=1S/C15H22O2/c1-10(2)13-5-4-11(3)15(13)8-6-12(7-9-15)14(16)17/h6,10,13H,3-5,7-9H2,1-2H3,(H,16,17)/t13-,15+/m0/s1
InChIKey
ZJXJQRXAMSBPTJ-DZGCQCFKSA-N
Chemical Structure
2D Structure
2D structure of Schisansphenin B
CAS: 1357469-93-2
CID: 155978882
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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