Products 21152-49-8

CAS 21152-49-8 is the registry number for 5alpha-Androstane-3alpha,17beta-diol Disulfate. Offered by: TRC. Available pack sizes: 100mg.

Structural formula: {0} (CAS {1})

5alpha-androstane-3alpha,17beta-diol disulfate is an androstane sulfate that is 5alpha-androstan-3alpha,17beta-diol in which both hydroxy hydrogens have been replaced by sulfo groups. It is functionally related to a 5alpha-androstane-3beta,17beta-diol. It is a conjugate acid of a 5alpha-androstane-3alpha,17beta-diol disulfate anion and a 5alpha-androstane-3alpha,17beta-diol disulfate(2-).

Source: ChEBI

Identity
Molecular formulaC19H32O8S2
Molecular weight452.6 g/mol
IUPAC name[(3R,5S,8R,9S,10S,13S,14S,17S)-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] hydrogen sulfate
InChIKeyJHFAETDERBWUOO-KHOSGYARSA-N
SMILESC[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)O)C)OS(=O)(=O)O

Computed by PubChem (NCBI)