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12-Acetoxyganoderic acid D

CAT: 0931-TN8405-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8405-02Size:50 mg
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CAS Number
2374206-92-3
Target
NO Synthase
Related Pathways
Immunology/Inflammation
Bioactivity
12-Acetoxyganoderic acid D is a triterpenoid compound found in Ganoderma sinense. It exhibits anti-inflammatory properties by inhibiting nitric oxide (NO) production in LPS-stimulated RAW 264.7 macrophages.
Smiles
C[C@@]12[C@](C)([C@H](OC(C)=O)C(=O)C3=C1[C@@H](O)C[C@@]4([C@]3(C)CCC(=O)C4(C)C)[H])[C@@]([C@@H](CC(CC(C(O)=O)C)=O)C)(CC2=O)[H]
Molecular Formula
C32H44O9
Molecular Weight
572.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

12beta-Acetoxyganoderic acid D
CAS Number2374206-92-3
PubChem CID172677493
IUPAC Name(6R)-6-[(5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Molecular FormulaC32H44O9
Molecular Weight572.7
XLogP1.9
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity1260
SMILES
C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)OC(=O)C)C)C
InChI
InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19-21,27,35H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,20+,21+,27-,30+,31+,32+/m1/s1
InChIKey
RUQXKZSULBJADG-LZIVZTNSSA-N
Chemical Structure
2D Structure
2D structure of 12beta-Acetoxyganoderic acid D
CAS: 2374206-92-3
CID: 172677493
Formula: C32H44O9
MW: 572.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.7
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass572.29853298
Monoisotopic Mass572.29853298
Topological Polar Surface Area152 Ų
Heavy Atom Count41
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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