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Salviandulin E

CAT: 0931-T75617-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T75617-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
158994-32-2
Target
Parasite, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
Salviandulin E, a diterpenoid isolated from Salvia leucantha CAV., exhibits antitrypanosomal activity against T. b. brucei GUTat 3.1 parasites, demonstrating an IC50 value of 0.72 μg/mL [1] [2].
Smiles
CC1=C2[C@]3(C(C(=O)OC3)=C[C@H](O)C2)C=CC4=C1[C@@H](OC4=O)C=5C=COC5
Molecular Formula
C20H16O6
Molecular Weight
352.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Salviandulin E
CAS Number158994-32-2
PubChem CID76321160
IUPAC Name(1S,7R,12R)-7-(furan-3-yl)-12-hydroxy-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,8]heptadeca-2,4(8),9,13-tetraene-5,15-dione
Molecular FormulaC20H16O6
Molecular Weight352.3
XLogP0.7
Topological Polar Surface Area86
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity844
SMILES
CC1=C2C[C@H](C=C3[C@]2(COC3=O)C=CC4=C1[C@@H](OC4=O)C5=COC=C5)O
InChI
InChI=1S/C20H16O6/c1-10-14-6-12(21)7-15-19(23)25-9-20(14,15)4-2-13-16(10)17(26-18(13)22)11-3-5-24-8-11/h2-5,7-8,12,17,21H,6,9H2,1H3/t12-,17+,20+/m1/s1
InChIKey
OHRYPZSDRFBQMN-ZINOCKGTSA-N
Chemical Structure
2D Structure
2D structure of Salviandulin E
CAS: 158994-32-2
CID: 76321160
Formula: C20H16O6
MW: 352.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.3
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass352.09468823
Monoisotopic Mass352.09468823
Topological Polar Surface Area86 Ų
Heavy Atom Count26
Formal Charge0
Complexity844
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

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