Deoxycholic acid 3-sulfate

cas: 67030-48-2 — see every product listed under this CAS number, including other names

Deoxycholic acid 3-sulfate (CAS 67030-48-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas67030-48-2
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Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 67030-48-2) is a chemical compound with the molecular formula C24H40O7S and a molecular weight of 472.6 g/mol. IUPAC name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid. InChIKey: ARGCPGOJOKCMSW-LLQZFEROSA-N.

Identity
Molecular formulaC24H40O7S
Molecular weight472.6 g/mol
IUPAC name(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyARGCPGOJOKCMSW-LLQZFEROSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C

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