Products for Research Use Only
RegisterLogin

Merenskine

CAT: 0013-GTR19237096-02Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19237096-02Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
The herbs of Doronicum macrophyllum.
CAS Number
96657-94-2
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C18H26ClNO6
Molecular Weight
387.9
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Merenskine
CAS Number96657-94-2
PubChem CID162639088
IUPAC Name(1R,4R,5R,6R,7R,17R)-4-(chloromethyl)-4,7-dihydroxy-5,6,7-trimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Molecular FormulaC18H26ClNO6
Molecular Weight387.9
XLogP0.6
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity639
SMILES
C[C@@H]1[C@H]([C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(CCl)O)C
InChI
InChI=1S/C18H26ClNO6/c1-10-11(2)18(24,9-19)16(22)26-13-5-7-20-6-4-12(14(13)20)8-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18-/m1/s1
InChIKey
PQVSFJDPIWTHNX-FQPKLTCISA-N
Chemical Structure
2D Structure
2D structure of Merenskine
CAS: 96657-94-2
CID: 162639088
Formula: C18H26ClNO6
MW: 387.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.9
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass387.1448652
Monoisotopic Mass387.1448652
Topological Polar Surface Area96.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M32064-01Merenskine
MBS5801650Merenskine N-oxide

Popular Products