10,13-dimethyl-17-(5-methylhex-3-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

HCID 178971663

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Basic information

Standard SMILES: CC(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
InChIKey: BKWBRNDZAJHCMT-UHFFFAOYSA-N
Molecular formula: C26H42O
Average molar mass: 370.6 g/mol
Monoisotopic mass: 370.32356596

Overview

10,13-dimethyl-17-(5-methylhex-3-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol has been reported in Pseudopotamilla occelata with data available.

Names & identifiers

Preferred name: 10,13-dimethyl-17-(5-methylhex-3-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC: 10,13-dimethyl-17-(5-methylhex-3-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Properties

Computed structural properties

XLogP: 7.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 616

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Compound notes

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