SCHEMBL5956198

methyl 7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoate

CAS: 58717-37-6

Molecular Formula	`C22H38O5`
Molecular Weight	382.5 g/mol
LogP	3.7
Topological Polar Surface Area	83.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	14
Exact Mass	382.2719
Heavy Atoms	27
Complexity	487.0

Chemical Identifiers

CAS Number	58717-37-6
SMILES	`CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O`
InChIKey	`OJLOPKGSLYJEMD-LNQMSSPSSA-N`

📖 Product Overview

SCHEMBL5956198 (CAS: 58717-37-6) is a chemical compound with molecular formula C22H38O5 and molecular weight 382.5 g/mol. Its IUPAC systematic name is methyl 7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoate. LogP 3.7 Topological Polar Surface Area 83.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 14 Exact Mass 382.2719 Heavy Atoms 27 Complexity 487.0 InChI Key: OJLOPKGSLYJEMD-LNQMSSPSSA-N. SMILES: CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O.

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