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Ganoderic acid F

CAT: 0931-T11363-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T11363-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98665-15-7
Target
Others
Related Pathways
Others
Purity
0.9967
Bioactivity
Ganoderic acid F inhibits the proliferation of HeLa human cervical carcinoma cells with IC (50) values of 19.5+/-0.6 microM.
Smiles
[H][C@@]12CC(=O)C3=C(C(=O)[C@@H](OC(C)=O)[C@]4(C)[C@H](CC(=O)[C@@]34C)[C@H](C)CC(=O)CC(C)C(O)=O)[C@@]1(C)CCC(=O)C2(C)C
Molecular Formula
C32H42O9
Molecular Weight
570.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ganoderic Acid F

Ganoderic acid F is a triterpenoid.

CAS Number98665-15-7
PubChem CID23247895
IUPAC Name(6R)-6-[(5R,10S,12S,13R,14R,17R)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Molecular FormulaC32H42O9
Molecular Weight570.7
XLogP2.3
Topological Polar Surface Area149
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity1300
SMILES
C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)OC(=O)C)C)C
InChI
InChI=1S/C32H42O9/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/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,27-,30+,31+,32+/m1/s1
InChIKey
BWCNWXLKMWWVBT-AIMUVTGPSA-N
Chemical Structure
2D Structure
2D structure of Ganoderic Acid F
CAS: 98665-15-7
CID: 23247895
Formula: C32H42O9
MW: 570.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.7
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass570.28288291
Monoisotopic Mass570.28288291
Topological Polar Surface Area149 Ų
Heavy Atom Count41
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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