(2S,3S,4S,5R,6S)-6-[[(13S)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS: 75803-39-3

Molecular Formula	`C26H32O8`
Molecular Weight	472.5 g/mol
LogP	2.3
Topological Polar Surface Area	137.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	472.20972
Heavy Atoms	34
Complexity	853.0

Chemical Identifiers

CAS Number	75803-39-3
SMILES	`CC12CCC3C(C1CCC2(C#C)OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O`
InChIKey	`SQQXJBRONRGLRT-XQQCSVHLSA-N`

📖 Product Overview

(2S,3S,4S,5R,6S)-6-[[(13S)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS: 75803-39-3) is a chemical compound with molecular formula C26H32O8 and molecular weight 472.5 g/mol. Its IUPAC systematic name is (2S,3S,4S,5R,6S)-6-[[(13S)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. LogP 2.3 Topological Polar Surface Area 137.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 472.20972 Heavy Atoms 34 Complexity 853.0 InChI Key: SQQXJBRONRGLRT-XQQCSVHLSA-N. SMILES: CC12CCC3C(C1CCC2(C#C)OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O.

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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 (2S,3S,4S,5R,6S)-6-[[(13S)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

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