Hellebrigenin-3-o- -glucoside

cas: 72947-90-1 — see every product listed under this CAS number, including other names

Hellebrigenin-3-o- -glucoside (CAS 72947-90-1) is a chemical reagent available from Chemat. Available pack sizes: 1MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog numberSMB00536-1MG
cas72947-90-1
size1MG
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Available pack sizes

brand size price
Sigma-Aldrich 1MG 2448.00 Pln
Structural formula: {0} (CAS {1})

Hellebrigenin glucoside is a steroid lactone. It is functionally related to a bufanolide.

Source: ChEBI

Identity
Molecular formulaC30H42O11
Molecular weight578.6 g/mol
IUPAC name(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
InChIKeyAXUYMUBJXHVZEL-DBOUUHTQSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C=O)O

Computed by PubChem (NCBI)