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2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol

PubChem CID: 163746

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Compound Synonyms Ganodermatriol, 2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol, 105300-28-5, Lanosta-7,9(11),24-triene-3,26,27-triol, DTXSID70909415
Topological Polar Surface Area 60.7
Hydrogen Bond Donor Count 3.0
Inchi Key LIJZGBVDQCTWLG-KJICSUBBSA-N
Rotatable Bond Count 6.0
Heavy Atom Count 33.0
Compound Name 2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol
Exact Mass 456.36
Formal Charge 0.0
Brenk Violation True
Monoisotopic Mass 456.36
Isotope Atom Count 0.0
Molecular Complexity 845.0
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 456.7
Database Name npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 6.0
Iupac Name 2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol
Total Atom Stereocenter Count 7.0
Nih Violation False
Total Bond Stereocenter Count 0.0
Inchi InChI=1S/C30H48O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25-26,31-33H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25?,26+,28-,29-,30+/m1/s1
Smiles C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Xlogp 6.1
Is Pains False
Defined Bond Stereocenter Count 0.0
Molecular Formula C30H48O3