Products for Research Use Only
RegisterLogin

Decalin

CAT: 0931-T31292Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T31292Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
14727-56-1
Target
Others
Related Pathways
Others
Bioactivity
Decalin (decahydronaphthalene, also known as bicyclo[4.4.0]decane), a bicyclic organic compound, is an industrial solvent. A colorless liquid with an aromatic odor, it is used as a solvent for many resins or fuel additives. It is the saturated analog of naphthalene and can be prepared from it by hydrogenation in the presence of a catalyst. Decahydronaphthalene easily forms explosive organic peroxides upon storage in the presence of air.
Smiles
O(C)C=1C=C2[C@]3(N4[C@](C[C@@](C3)(OC(=O)CCC=5C=CC(OC2=CC1OC)=CC5)[H])(CCCC4)[H])[H]
Molecular Formula
C26H31NO5
Molecular Weight
437.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(14S,15aS,21S)-10,11,15,15a,16,17,18,19-Octahydro-2,3-dimethoxy-6,9-etheno-14,21-methano-12H,14H,21H-pyrido(2,1-l)(1,9,13)benzodioxaazacyclohexadecin-12-one

Decaline is a macrolide.

CAS Number14727-56-1
PubChem CID167158
IUPAC Name(9S,15S,17S)-5,6-dimethoxy-2,18-dioxa-10-azapentacyclo[20.2.2.19,17.03,8.010,15]heptacosa-1(24),3,5,7,22,25-hexaen-19-one
Molecular FormulaC26H31NO5
Molecular Weight437.5
XLogP4.3
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity636
SMILES
COC1=C(C=C2C(=C1)[C@@H]3C[C@H](C[C@H]4N3CCCC4)OC(=O)CCC5=CC=C(O2)C=C5)OC
InChI
InChI=1S/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3/t18-,20-,22-/m0/s1
InChIKey
PXXNTAGJWPJAGM-VCOUNFBDSA-N
Chemical Structure
2D Structure
2D structure of (14S,15aS,21S)-10,11,15,15a,16,17,18,19-Octahydro-2,3-dimethoxy-6,9-etheno-14,21-methano-12H,14H,21H-pyrido(2,1-l)(1,9,13)benzodioxaazacyclohexadecin-12-one
CAS: 14727-56-1
CID: 167158
Formula: C26H31NO5
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass437.22022309
Monoisotopic Mass437.22022309
Topological Polar Surface Area57.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN1556Decarine
TMPY-05038-01Decorin Protein, Human, Recombinant
TMAB-05053-01Anti-Decorin Polyclonal Antibody
TMAY-00429Anti-Decorin Antibody (2P567)
TMPY-05290-01Decorin Protein, Rat, Recombinant (His)
TMPJ-00924-01Decorin Protein, Mouse, Recombinant (His)
TMPY-01608-01Decorin Protein, Human, Recombinant (His)
TMPH-00264-01Decorin Protein, Bovine, Recombinant (His)
TMPY-00774-01Decorin Protein, Human, Recombinant (hFc)
TN9240-01Decan-2-one

Alternative Products

CatalogName
MBS5780912Decalin
93100500Decalin 98% For Synthesis
GTR19223608-01Decalin-1,4-dione
54665-01Decalin (Decahydronaphthalene) pure, 98%
sc-301650[ (R, R) -1,5-Diaza-cis-decalin]copper hydroxide iodide

Popular Products