[3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate

CAS: 58003-48-8

Molecular Formula	`C33H48O2`
Molecular Weight	476.7 g/mol
LogP	10.4
Topological Polar Surface Area	26.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	7
Exact Mass	476.36542
Heavy Atoms	35
Complexity	804.0

Chemical Identifiers

CAS Number	58003-48-8
SMILES	`CCCCC(C)(C)C1CCC2C1(CCC3C2C4(CCC(CC4=CC3)OC(=O)C5=CC=CC=C5)C)C`
InChIKey	`PKNPJOWOAPCDLZ-UHFFFAOYSA-N`

📖 Product Overview

[3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate (CAS: 58003-48-8) is a chemical compound with molecular formula C33H48O2 and molecular weight 476.7 g/mol. Its IUPAC systematic name is [3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate. LogP 10.4 Topological Polar Surface Area 26.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 7 Exact Mass 476.36542 Heavy Atoms 35 Complexity 804.0 InChI Key: PKNPJOWOAPCDLZ-UHFFFAOYSA-N. SMILES: CCCCC(C)(C)C1CCC2C1(CCC3C2C4(CCC(CC4=CC3)OC(=O)C5=CC=CC=C5)C)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 [3a,11a-dimethyl-3-(2-methylhexan-2-yl)-2,3,4,5,5a,6,8,9,10,11,11b,11c-dodecahydro-1H-cyclopenta[g]phenanthren-9-yl] benzoate.

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