Products 61251-97-6

CAS 61251-97-6 is the registry number for Baccharin. Offered by: Chemat Brand. Available pack sizes: on request.

Baccharin
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1R,3S,4S,6R,9R,13S,15R,16S,19R,20E,22Z,26R,27S,28S)-16-hydroxy-19-[(1R)-1-hydroxyethyl]-6,15,27-trimethylspiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione (CAS 61251-97-6) is a chemical compound with the molecular formula C29H38O11 and a molecular weight of 562.6 g/mol. IUPAC name: (1R,3S,4S,6R,9R,13S,15R,16S,19R,20E,22Z,26R,27S,28S)-16-hydroxy-19-[(1R)-1-hydroxyethyl]-6,15,27-trimethylspiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione. InChIKey: DGBITFNXKQHKLI-IGAMYEMLSA-N.

Identity
Molecular formulaC29H38O11
Molecular weight562.6 g/mol
IUPAC name(1R,3S,4S,6R,9R,13S,15R,16S,19R,20E,22Z,26R,27S,28S)-16-hydroxy-19-[(1R)-1-hydroxyethyl]-6,15,27-trimethylspiro[2,5,11,14,18,25-hexaoxahexacyclo[24.2.1.03,9.04,6.09,27.013,15]nonacosa-20,22-diene-28,2'-oxirane]-12,24-dione
InChIKeyDGBITFNXKQHKLI-IGAMYEMLSA-N
SMILESC[C@H]([C@H]1/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CC[C@@]6([C@H]([C@H]5O3)O6)C)COC(=O)[C@@H]7[C@](O7)([C@H](CO1)O)C)C)CO4)O

Computed by PubChem (NCBI)

Synonyms: Baccharin, (2E)-3-(3-(3-Methyl-2-buten-1-yl)-4-((3-phenylpropanoyl)oxy)phenyl)acrylic acid, (E)-3-(3-(3-methylbut-2-enyl)-4-(3-phenylpropanoyloxy)phenyl)prop-2-enoic acid, Baccharinoid B5