Halistanol trisulfate

[(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfooxy-17-[(2R,5S)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate

CAS: 103065-20-9

Molecular Formula	`C29H52O12S3`
Molecular Weight	688.9 g/mol
LogP	6.5
Topological Polar Surface Area	216.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	11
Exact Mass	688.2621
Heavy Atoms	44
Complexity	1360.0

Chemical Identifiers

CAS Number	103065-20-9
SMILES	`CC(CCC(C)C(C)(C)C)C1CCC2C1(CCC3C2CC(C4C3(CC(C(C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C`
InChIKey	`UYXOPBYFUWYADH-APJFPIMXSA-N`

📖 Product Overview

Halistanol trisulfate (CAS: 103065-20-9) is a chemical compound with molecular formula C29H52O12S3 and molecular weight 688.9 g/mol. Its IUPAC systematic name is [(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3-disulfooxy-17-[(2R,5S)-5,6,6-trimethylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate. LogP 6.5 Topological Polar Surface Area 216.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 12 Rotatable Bonds 11 Exact Mass 688.2621 Heavy Atoms 44 Complexity 1360.0 InChI Key: UYXOPBYFUWYADH-APJFPIMXSA-N. SMILES: CC(CCC(C)C(C)(C)C)C1CCC2C1(CCC3C2CC(C4C3(CC(C(C4)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)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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