6-(7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-hydroxy-2-methylhept-2-enoic acid

HCID 178972002

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Basic information

Standard SMILES: CC(=CC(O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(=O)O
InChIKey: JTBDTJVGIGEPFI-UHFFFAOYSA-N
Molecular formula: C30H44O7
Average molar mass: 516.7 g/mol
Monoisotopic mass: 516.30870375

Overview

6-(7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-hydroxy-2-methylhept-2-enoic acid has been reported in Ganoderma lucidum with data available.

Names & identifiers

Preferred name: 6-(7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-hydroxy-2-methylhept-2-enoic acid
IUPAC: 6-(7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-hydroxy-2-methylhept-2-enoic acid

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 132 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 37
Formal charge: 0
Complexity: 1,090

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Compound notes

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