(5R,10S,13R,14R,17R)-17-[(2R)-4-[(2R,3R)-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

HCID 178975766

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Basic information

Standard SMILES: C[C@H](CC[C@H]1O[C@]1(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
InChIKey: DHGMYNLRIYMOGS-SIKGAPLHSA-N
Molecular formula: C30H46O4
Average molar mass: 470.7 g/mol
Monoisotopic mass: 470.33960995

Overview

(5R,10S,13R,14R,17R)-17-[(2R)-4-[(2R,3R)-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 has been reported in Ganoderma pfeifferi with data available.

Names & identifiers

Preferred name: (5R,10S,13R,14R,17R)-17-[(2R)-4-[(2R,3R)-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
IUPAC: (5R,10S,13R,14R,17R)-17-[(2R)-4-[(2R,3R)-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

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 66.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 947

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