Monotropein

  • CAT Number: R072617
  • CAS Number: 5945-50-6
  • PubChem Substance ID: 73466
  • Molecular Formula: C16H22O11
  • Molecular Weight: 390.341
  • Purity: ≥95%
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Catalog Number R072617
CAS Number 5945-50-6
Molecular Formula C16H22O11
Purity ≥95%
IUPAC Name (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
InChI InChI=1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1
InChIKey HPWWQPXTUDMRBI-NJPMDSMTSA-N
SMILES C1=CC(C2C1C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)(CO)O

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