Products for Research Use Only
RegisterLogin

Nemoralisin C

CAT: 0931-TN4629Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN4629Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1443421-84-8
Target
Others
Related Pathways
Others
Bioactivity
Nemoralisin C shows antiproliferative activity against HepG2, AGS, MCF-7, and A-549 cancer cell lines.
Smiles
C\C(CCC[C@](C)(O)C1=CC(=O)C(C)(C)O1)=C/[C@@H]1CC(C)=CC(=O)O1
Molecular Formula
C20H28O5
Molecular Weight
348.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nemoralisin C
CAS Number1443421-84-8
PubChem CID71726410
IUPAC Name(2S)-2-[(E,6S)-6-(5,5-dimethyl-4-oxofuran-2-yl)-6-hydroxy-2-methylhept-1-enyl]-4-methyl-2,3-dihydropyran-6-one
Molecular FormulaC20H28O5
Molecular Weight348.4
XLogP2.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity653
SMILES
CC1=CC(=O)O[C@@H](C1)/C=C(\C)/CCC[C@@](C)(C2=CC(=O)C(O2)(C)C)O
InChI
InChI=1S/C20H28O5/c1-13(9-15-10-14(2)11-18(22)24-15)7-6-8-20(5,23)17-12-16(21)19(3,4)25-17/h9,11-12,15,23H,6-8,10H2,1-5H3/b13-9+/t15-,20+/m1/s1
InChIKey
BNEONHJMPXMLIV-TWSSUNLLSA-N
Chemical Structure
2D Structure
2D structure of Nemoralisin C
CAS: 1443421-84-8
CID: 71726410
Formula: C20H28O5
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass348.19367399
Monoisotopic Mass348.19367399
Topological Polar Surface Area72.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity653
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN4630Nemoralisin
T15431-01Nemiralisib
T70858-01Nemiralisib succinate
T14849-01C-NH-Boc-C-Bis- (C-PEG1-Boc)
T41069-01CHO-C-PEG2-C-CHO
T87513-01Thalidomide-azetidine-C-PIP-C-boc
TN11169-01Levinoid C
T71468-01Chaetochromin C
T70565-01Saussureamine C
T6890-01Mitomycin C

Alternative Products

CatalogName
HY-N3208Nemoralisin
GTR19180963Nemoralisin C

Popular Products