Products for Research Use Only
RegisterLogin

14-Deoxy-11-oxoandrographolide

CAT: 0931-TN2463-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN2463-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
42895-57-8
Target
Others
Related Pathways
Others
Bioactivity
14-Deoxy-11-oxoandrographolide is a natural product from Andrographis paniculata
Smiles
C[C@]12[C@@]([C@@](CO)(C)[C@H](O)CC1)(CCC(=C)[C@H]2C(CC=3C(=O)OCC3)=O)[H]
Molecular Formula
C20H28O5
Molecular Weight
348.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

14-Deoxy-11-oxoandrographolide

14-Deoxy-11-oxoandrographolide has been reported in Andrographis paniculata with data available.

CAS Number42895-57-8
PubChem CID9975052
IUPAC Name4-[2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-oxoethyl]-2H-furan-5-one
Molecular FormulaC20H28O5
Molecular Weight348.4
XLogP2.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity636
SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C(=O)CC3=CCOC3=O)(C)CO)O
InChI
InChI=1S/C20H28O5/c1-12-4-5-15-19(2,8-6-16(23)20(15,3)11-21)17(12)14(22)10-13-7-9-25-18(13)24/h7,15-17,21,23H,1,4-6,8-11H2,2-3H3/t15-,16+,17-,19+,20-/m0/s1
InChIKey
WZHWNAKOQGIEEB-NDLGOLERSA-N
Chemical Structure
2D Structure
2D structure of 14-Deoxy-11-oxoandrographolide
CAS: 42895-57-8
CID: 9975052
Formula: C20H28O5
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass348.19367399
Monoisotopic Mass348.19367399
Topological Polar Surface Area83.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity636
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

Related Products

CatalogName
TN558514-Deoxy-11-hydroxyandrographolide
TN262214-Deoxy-11,12-didehydroandrographiside
TQ0185-0114-Deoxy-11,12-didehydroandrographolide
T26376-0111-deoxy-PGF2a
T85380-0111-Deoxy-11-methylene PGD2
TN262314-Deoxy-17-hydroxyandrographolide
TN558614-Deoxy-12-hydroxyandrographolide
TN262414-Deoxy-epsilon-caesalpin
T38342-0111-deoxy Prostaglandin E2
T36770-0111-deoxy Prostaglandin E1

Alternative Products

CatalogName
MBS578683014-Deoxy-11-oxoandrographolide
HY-N149114-Deoxy-11-hydroxyandrographolide
SM5172-5mg14-Deoxy-11, 12-didehydroandrographolide
TTE131814-Deoxy-11,12-didehydroandrographiside
TB0210414-Deoxy-11,12-didehydroandrographolide
HY-N1490R14-Deoxy-11,12-didehydroandrographolide (Standard)
37107614-Deoxy-11,12-dehydroandrographolide discontinued

Popular Products