Products 87734-68-7

CAS 87734-68-7 is the registry number for Typhasterol. Offered by: TRC, Biosynth. Available pack sizes: 25mg, 1mg.

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

Typhasterol is a brassinosteroid that is ergostan-6-one bearing three additional hydroxy substituents at positions 3alpha, 22R and 23R. It has a role as a plant metabolite. It is a C28-steroid, a brassinosteroid, a 3alpha-sterol, a 22-hydroxy steroid, a 23-hydroxy steroid and a 6-oxo steroid. It derives from a hydride of a 5alpha-campestane.

Source: ChEBI

Identity
Molecular formulaC28H48O4
Molecular weight448.7 g/mol
IUPAC name(3R,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
InChIKeySBSXXCCMIWEPEE-SELDZKRUSA-N
SMILESC[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O

Computed by PubChem (NCBI)