Cafestol

CAS Registry Number®

469-83-0
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CAS Name

Cafestol

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

Cafestol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=469-83-0 (retrieved 2024-04-18) (CAS RN: 469-83-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    153-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1

InChIKey

InChIKey=DNJVYWXIDISQRD-HWUKTEKMSA-N

SMILES

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

Canonical SMILES

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

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

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