Products 42612-19-1

CAS 42612-19-1 is the registry number for Cafamarine. Offered by: Chemat Brand. Available pack sizes: on request.

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

(1S,4S,12R,13R,16R,17R)-17-hydroxy-12-(hydroxymethyl)-17-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one (CAS 42612-19-1) is a chemical compound with the molecular formula C26H36O10 and a molecular weight of 508.6 g/mol. IUPAC name: (1S,4S,12R,13R,16R,17R)-17-hydroxy-12-(hydroxymethyl)-17-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one. InChIKey: TXMUQQBIIGAMBQ-COYPLDDNSA-N.

Identity
Molecular formulaC26H36O10
Molecular weight508.6 g/mol
IUPAC name(1S,4S,12R,13R,16R,17R)-17-hydroxy-12-(hydroxymethyl)-17-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one
InChIKeyTXMUQQBIIGAMBQ-COYPLDDNSA-N
SMILESC1C[C@@H]2[C@@]3(CC[C@H]4[C@]2(CC(=O)C5=C4C=CO5)CO)C[C@@H]1[C@](C3)(CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O

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