Enmein

CAS Registry Number®

3776-39-4
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CAS Name

Enmein

Molecular Formula

C20H26O6

Molecular Mass

362.42

Cite this Page

Enmein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3776-39-4 (retrieved 2024-06-30) (CAS RN: 3776-39-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    227-229 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H26O6/c1-9-10-4-5-11-19(7-10,15(9)22)17(24)26-13-6-12(21)18(2,3)14-16(23)25-8-20(11,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14-,16-,19+,20-/m1/s1

InChIKey

InChIKey=MQOJPNKACWKUGI-CDKPERABSA-N

SMILES

CC1(C)[C@@]2([C@@]3([C@]4([C@]5(C[C@@](CC4)(C(=C)C5=O)[H])C(=O)O[C@]3(C[C@@H]1O)[H])[H])CO[C@H]2O)[H]

Canonical SMILES

O=C1OC2CC(O)C(C)(C)C3C(O)OCC23C4CCC5C(=C)C(=O)C14C5

Other Names for this Substance

  • Enmein
  • 5H-5a,8-Methano-11H-cyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione, decahydro-2,13-dihydroxy-1,1-dimethyl-7-methylene-, (2S,3aS,5aS,8R,10aS,10bS,13R,13aR)-
  • Isodonin
  • Bicyclo[3.2.1]octane-1-carboxylic acid, 6-methylene-7-oxo-2-(tetrahydro-1,4,6-trihydroxy-7,7-dimethyl-3a(4H)-phthalanyl)-, δ-lactone
  • 5H-5a,8-Methano-11H-cyclohepta[c]furo[3,4-e][1]benzopyran, enmein deriv.

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