(3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate

CAS: 63042-19-3

Molecular Formula	`C29H34O4`
Molecular Weight	446.6 g/mol
LogP	5.9
Topological Polar Surface Area	52.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	7
Exact Mass	446.2457
Heavy Atoms	33
Complexity	712.0

Chemical Identifiers

CAS Number	63042-19-3
SMILES	`CCCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4OC(=O)C5=CC=CC=C5)C`
InChIKey	`JQFFZHSMBIWVHC-UHFFFAOYSA-N`

📖 Product Overview

(3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate (CAS: 63042-19-3) is a chemical compound with molecular formula C29H34O4 and molecular weight 446.6 g/mol. Its IUPAC systematic name is (3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate. LogP 5.9 Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 7 Exact Mass 446.2457 Heavy Atoms 33 Complexity 712.0 InChI Key: JQFFZHSMBIWVHC-UHFFFAOYSA-N. SMILES: CCCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4OC(=O)C5=CC=CC=C5)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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Frequently Asked Questions

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📚 Academic Support

Scientific research papers and technical documentation supporting this product for informed procurement decisions.

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Technical Blog Article

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

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