Products 226711-23-5

CAS 226711-23-5 is the registry number for Bakkenolide Db. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 1mg, 5mg, 10mg, 50mg, Get quote.

Bakkenolide Db
Biosynth, MedChemExpress
  • size: 25mg, 1mg, 5mg, 10mg
  • Variants: 6
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Structural formula: {0} (CAS {1})

[(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-3-[(R)-methylsulfinyl]prop-2-enoate (CAS 226711-23-5) is a chemical compound with the molecular formula C21H28O7S and a molecular weight of 424.5 g/mol. IUPAC name: [(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-3-[(R)-methylsulfinyl]prop-2-enoate. InChIKey: NOBDIGGORMPBLK-VVLKNSNYSA-N.

Identity
Molecular formulaC21H28O7S
Molecular weight424.5 g/mol
IUPAC name[(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-3-[(R)-methylsulfinyl]prop-2-enoate
InChIKeyNOBDIGGORMPBLK-VVLKNSNYSA-N
SMILESC[C@H]1CC[C@@H]([C@H]2[C@@]1(C[C@]3([C@@H]2OC(=O)C)C(=C)COC3=O)C)OC(=O)/C=C\[S@](=O)C

Computed by PubChem (NCBI)