[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] octadecanoate

CAS: 82205-00-3

Molecular Formula	`C36H58O3`
Molecular Weight	538.8 g/mol
LogP	13.0
Topological Polar Surface Area	46.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	18
Exact Mass	538.4386
Heavy Atoms	39
Complexity	705.0

Chemical Identifiers

CAS Number	82205-00-3
SMILES	`CCCCCCCCCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C`
InChIKey	`KIADYVOYCQRXRE-IMTRJTTHSA-N`

📖 Product Overview

[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] octadecanoate (CAS: 82205-00-3) is a chemical compound with molecular formula C36H58O3 and molecular weight 538.8 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] octadecanoate. LogP 13.0 Topological Polar Surface Area 46.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 18 Exact Mass 538.4386 Heavy Atoms 39 Complexity 705.0 InChI Key: KIADYVOYCQRXRE-IMTRJTTHSA-N. SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] octadecanoate.

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