Products for Research Use Only
RegisterLogin

Deltaline

CAT: 0931-T3S1888-05Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T3S1888-05Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
6836-11-9
Target
Others
Related Pathways
Others
Purity
0.9989
Bioactivity
Use of Deltaline (Eldelin) as versatile antidotes against poisoning of animals and humans.
Smiles
[H][C@]12C[C@]3(O)C(C1OC)[C@@]1(C[C@@H]2OC)OCOC11[C@@H](OC(C)=O)[C@@]2([H])C33C1N(CC)C[C@]2(C)CC[C@@H]3OC
Molecular Formula
C27H41NO8
Molecular Weight
507.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Deltaline

Deltaline is a diterpene alkaloid, a tertiary alcohol, an acetate ester, a tertiary amino compound, an organic polycyclic compound and a cyclic acetal. It derives from a hydride of an aconitane.

CAS Number6836-11-9
PubChem CID441728
IUPAC Name[(1R,2S,3S,4S,5R,6S,8R,12S,16R,19S,20R,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate
Molecular FormulaC27H41NO8
Molecular Weight507.6
XLogP0.6
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity979
SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@]4([C@@H]6[C@H]7OC)O)OC)OCO5)OC(=O)C)OC)C
InChI
InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27-/m1/s1
InChIKey
DTTPWCNKTMQMTE-DZZCPBQSSA-N
Chemical Structure
2D Structure
2D structure of Deltaline
CAS: 6836-11-9
CID: 441728
Formula: C27H41NO8
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass507.28321727
Monoisotopic Mass507.28321727
Topological Polar Surface Area95.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity979
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN6070Deltatsine
T3S0629-01Delsoline

Alternative Products

CatalogName
GTR19189118-01Deltaline

Popular Products