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Blinin

CAT: 0013-GTR19159733-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159733-02Size:200 mg
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Description
Blinin is a neoclerodane diterpene, isolated from the whole plant of Conyza blinii.
CAS Number
125675-09-4
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (254.78 mM)
Smiles
CC1CCC2 (C (C1 (C) CCC3=CC (=O) OC3) CC (C=C2CO) O) COC (=O) C
Molecular Formula
C22H32O6
Molecular Weight
392.49
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Blinin

Blinin is a diterpene lactone.

CAS Number125675-09-4
PubChem CID59054177
IUPAC Name[(2S,4aS,7R,8S,8aR)-2-hydroxy-4-(hydroxymethyl)-7,8-dimethyl-8-[2-(5-oxo-2H-furan-3-yl)ethyl]-1,2,5,6,7,8a-hexahydronaphthalen-4a-yl]methyl acetate
Molecular FormulaC22H32O6
Molecular Weight392.5
XLogP1.7
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity695
SMILES
C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)C[C@@H](C=C2CO)O)COC(=O)C
InChI
InChI=1S/C22H32O6/c1-14-4-7-22(13-28-15(2)24)17(11-23)9-18(25)10-19(22)21(14,3)6-5-16-8-20(26)27-12-16/h8-9,14,18-19,23,25H,4-7,10-13H2,1-3H3/t14-,18-,19-,21+,22-/m1/s1
InChIKey
XXSSNTKMBVTREV-DDHROXKOSA-N
Chemical Structure
2D Structure
2D structure of Blinin
CAS: 125675-09-4
CID: 59054177
Formula: C22H32O6
MW: 392.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.5
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass392.21988874
Monoisotopic Mass392.21988874
Topological Polar Surface Area93.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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