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Urospermal

CAT: 0013-GTR19228622-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228622-02Size:2 mg
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Description
Urospermal (CAS 28400-14-8) is a bioactive small molecule used in life science research. It serves as a valuable tool compound for in vitro studies investigating biological pathways and cellular mechanisms.
CAS Number
28400-14-8
Smiles
OC\C1=C/[C@H]2OC (=O) C (=C) [C@@H]2[C@@H] (O) C\C (C=O) =C/CC1
Molecular Formula
C15H18O5
Molecular Weight
278.304
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Urospermal I
CAS Number28400-14-8
PubChem CID5478095
IUPAC Name(6E,10Z)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
Molecular FormulaC15H18O5
Molecular Weight278.30
XLogP-0.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity488
SMILES
C=C1C2C(C/C(=C\CC/C(=C/C2OC1=O)/CO)/C=O)O
InChI
InChI=1S/C15H18O5/c1-9-14-12(18)5-10(7-16)3-2-4-11(8-17)6-13(14)20-15(9)19/h3,6-7,12-14,17-18H,1-2,4-5,8H2/b10-3+,11-6-
InChIKey
CVISOHZWXIVDFN-MPUMUABYSA-N
Chemical Structure
2D Structure
2D structure of Urospermal I
CAS: 28400-14-8
CID: 5478095
Formula: C15H18O5
MW: 278.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.30
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass278.11542367
Monoisotopic Mass278.11542367
Topological Polar Surface Area83.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5790613Urospermal

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