ganoderic acid S

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 10
Total Number of Articles : 7
PubChem 12444571
Molecular Formula

C30H44O3

SMILES

C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C

InChI

InChI=1S/C30H44O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,14,19,21,24H,8-9,12-13,15-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,24+,28-,29-,30+/m1/s1

synonyms
  • ganoderic acid S
  • 104759-35-5
  • (E,6R)-2-Methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
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Properties
Property Value
MW 452.7 g/mol
HBD 1
HBA 3
Rotatable Bond Count 5
Exact Mass 452.32904526 g/mol
Monoisotopic Mass 452.32904526 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 950
xlogp 7
Topological Polar Surface Area 54.4