Cafestol acetate

CAS Registry Number®

81760-48-7
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CAS Name

Cafestol acetate

Molecular Formula

C22H30O4

Molecular Mass

358.47

Cite this Page

Cafestol acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=81760-48-7 (retrieved 2024-04-25) (CAS RN: 81760-48-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H30O4/c1-14(23)26-13-22(24)12-21-9-5-17-16-7-10-25-18(16)6-8-20(17,2)19(21)4-3-15(22)11-21/h7,10,15,17,19,24H,3-6,8-9,11-13H2,1-2H3/t15-,17-,19+,20-,21+,22+/m1/s1

InChIKey

InChIKey=PTGGVIKFNQSFBY-WPOGFBIBSA-N

SMILES

C[C@]12[C@]3([C@]4(C[C@]([C@](COC(C)=O)(O)C4)(CC3)[H])CC[C@@]1(C5=C(CC2)OC=C5)[H])[H]

Canonical SMILES

O=C(OCC1(O)CC23CCC4C=5C=COC5CCC4(C)C3CCC1C2)C

Other Names for this Substance

  • 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 7-acetate, (3bS,5aS,7R,8R,10aR,10bS)-
  • 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, α-acetate, [3bS-(3bα,5aβ,7β,8β,10aα,10bβ)]-
  • 5a,8-Methano-5aH-cyclohepta[5,6]naphtho[2,1-b]furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, α-acetate, (3bS,5aS,7R,8R,10aR,10bS)-
  • Cafestol acetate
  • Cafestol 17-acetate

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