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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
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
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
Defined Bond Stereocenter Count 0.0
Molecular Formula C30H48O3