Paeoniflorigenone

CAS Registry Number®

80454-42-8
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CAS Name

Paeoniflorigenone

Molecular Formula

C17H18O6

Molecular Mass

318.32

Cite this Page

Paeoniflorigenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80454-42-8 (retrieved 2024-05-02) (CAS RN: 80454-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12-,15+,16+,17-/m1/s1

InChIKey

InChIKey=BANPEMKDTXIFRE-LQPBRMSDSA-N

SMILES

C(OC(=O)C1=CC=CC=C1)[C@H]2[C@@]3(O[C@]4(O)C[C@]2(C(=O)C[C@]4(C)O3)[H])[H]

Canonical SMILES

O=C(OCC1C2OC3(O)CC1C(=O)CC3(O2)C)C=4C=CC=CC4

Other Names for this Substance

  • 2,5-Methano-1,3-benzodioxol-6(3aH)-one, 8-[(benzoyloxy)methyl]tetrahydro-3a-hydroxy-7a-methyl-, (2S,3aR,5R,7aS,8S)-
  • 2,5-Methano-1,3-benzodioxol-6(3aH)-one, 8-[(benzoyloxy)methyl]tetrahydro-3a-hydroxy-7a-methyl-, [2S-(2α,3aβ,5α,7aβ,8R*)]-
  • (2S,3aR,5R,7aS,8S)-8-[(Benzoyloxy)methyl]tetrahydro-3a-hydroxy-7a-methyl-2,5-methano-1,3-benzodioxol-6(3aH)-one
  • Paeoniflorigenone
  • (+)-Paeoniflorigenone

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