Molecule ID: 11598012

IUPAC Name: (5R,10S,13R,14R,17R)-17-[(2R)-4-[3-(hydroxymethyl)-3-methyloxiran-2-yl]butan-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione

Description: The molecule is a tetracyclic triterpenoid that is 5alpha-lanosta-8-ene with an epoxy group across positions 24 and 25, a hydroxy group at position 26 and oxo groups at positions 3 and 7. Isolated from the fruiting bodies of Ganoderma pfeifferi, it exhibits antiviral activity against influenza A virus. It has a role as a metabolite and an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor. It is a diketone, a primary alcohol, a tetracyclic triterpenoid and an epoxide. It derives from a hydride of a lanostane.

SMILES: C[C@H](CCC1OC1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O

SELFIES: [C][C@H1][Branch1][=N][C][C][C][O][C][Ring1][Ring1][Branch1][C][C][C][O][C@H1][C][C][C@@][Branch1][C][C][C][=C][Branch1][=Branch2][C][C][C@][Ring1][#Branch2][Ring1][#Branch1][C][C@@][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][Ring2][Ring1][C][=O]

InChI: InChI=1S/C30H46O4/c1-18(8-9-24-30(7,17-31)34-24)19-10-15-29(6)25-20(11-14-28(19,29)5)27(4)13-12-23(33)26(2,3)22(27)16-21(25)32/h18-19,22,24,31H,8-17H2,1-7H3/t18-,19-,22+,24?,27-,28-,29+,30?/m1/s1

Molecular Properties:
- Polar Surface Area: 66.9 Ų
- LogP: 5.1