Kirenol

CAS Registry Number®

52659-56-0
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CAS Name

Kirenol

Molecular Formula

C20H34O4

Molecular Mass

338.48

Cite this Page

Kirenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=52659-56-0 (retrieved 2024-04-29) (CAS RN: 52659-56-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    201-202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H34O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,14-17,21-24H,4-7,9-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+/m1/s1

InChIKey

InChIKey=NRYNTARIOIRWAB-JPDRSCFKSA-N

SMILES

C[C@]12[C@]3(C(=C[C@]([C@H](CO)O)(C)CC3)CC[C@@]1([C@@](CO)(C)C[C@@H](O)C2)[H])[H]

Canonical SMILES

OCC(O)C1(C=C2CCC3C(C)(CO)CC(O)CC3(C)C2CC1)C

Other Names for this Substance

  • 1,7-Phenanthrenedimethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-, (α7R,1R,3S,4aS,4bR,7S,10aS)-
  • 1,7-Phenanthrenedimethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-, [1R-[1α,3β,4aα,4bβ,7α(R*),10aβ]]-
  • (α7R,1R,3S,4aS,4bR,7S,10aS)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-1,7-phenanthrenedimethanol
  • Kirenol

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