Plumericin

CAS Registry Number®

77-16-7

CAS Name

Plumericin

Molecular Formula

C15H14O6

Molecular Mass

290.27

Cite this Page

Plumericin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77-16-7 (retrieved 2024-11-22) (CAS RN: 77-16-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C15H14O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h3-6,8,10-11,14H,1-2H3/b7-3+/t8-,10-,11+,14-,15+/m1/s1

InChIKey

InChIKey=VFXXNAVZODKBIW-JKXVGBJFSA-N

SMILES

C(\C)=C/1\[C@]2([C@]3([C@@]4([C@](C=C3)(C(C(OC)=O)=CO[C@@]4(O2)[H])[H])[H])OC1=O)[H]

Canonical SMILES

O=C(OC)C1=COC2OC3C(=CC)C(=O)OC43C=CC1C24

Other Names for this Substance

  • 2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester, (3E,3aS,4aR,7aS,9aS,9bS)-
  • Plumericin
  • 2H,4aαH-1,4,5-Trioxa-1H-dicyclopent[a,hi]indene-7-carboxylic acid, 3-ethylidene-3,3aβ,7aα,9bα-tetrahydro-2-oxo-, methyl ester
  • 2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethylidene-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester, [3aR-(3E,3aα,4aβ,7aβ,9aR*,9bβ)]-
  • NCI 112152

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