Monocerin

CAS Registry Number®

30270-60-1

CAS Name

Monocerin

Molecular Formula

C16H20O6

Molecular Mass

308.33

Cite this Page

Monocerin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30270-60-1 (retrieved 2024-11-25) (CAS RN: 30270-60-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    54.0-55.5 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1

InChIKey

InChIKey=VAYQNUBOZLPGDH-OLXJLDBKSA-N

SMILES

OC1=C2C([C@@]3([C@](OC2=O)(C[C@H](CCC)O3)[H])[H])=CC(OC)=C1OC

Canonical SMILES

O=C1OC2CC(OC2C3=CC(OC)=C(OC)C(O)=C13)CCC

Other Names for this Substance

  • 5H-Furo[3,2-c][2]benzopyran-5-one, 2,3,3a,9b-tetrahydro-6-hydroxy-7,8-dimethoxy-2-propyl-, (2S,3aR,9bR)-
  • 5H-Furo[3,2-c][2]benzopyran-5-one, 2,3,3a,9b-tetrahydro-6-hydroxy-7,8-dimethoxy-2-propyl-
  • 5H-Furo[3,2-c][2]benzopyran-5-one, 2,3,3a,9b-tetrahydro-6-hydroxy-7,8-dimethoxy-2-propyl-, [2S-(2α,3aβ,9bβ)]-
  • (2S,3aR,9bR)-2,3,3a,9b-Tetrahydro-6-hydroxy-7,8-dimethoxy-2-propyl-5H-furo[3,2-c][2]benzopyran-5-one
  • Monocerin

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