Doisynolic acid

CAS Registry Number®

482-49-5
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CAS Name

Doisynolic acid

Molecular Formula

C18H24O3

Molecular Mass

288.38

Cite this Page

Doisynolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=482-49-5 (retrieved 2024-03-28) (CAS RN: 482-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H24O3/c1-3-16-15-6-4-11-10-12(19)5-7-13(11)14(15)8-9-18(16,2)17(20)21/h5,7,10,14-16,19H,3-4,6,8-9H2,1-2H3,(H,20,21)/t14-,15-,16+,18+/m1/s1

InChIKey

InChIKey=GEGYYIFBFKSCPK-CBZIJGRNSA-N

SMILES

C(C)[C@H]1[C@]2([C@@](C=3C(CC2)=CC(O)=CC3)(CC[C@@]1(C(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)C1(C)CCC2C3=CC=C(O)C=C3CCC2C1CC

Other Names for this Substance

  • 2-Phenanthrenecarboxylic acid, 1-ethyl-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-, (1S,2S,4aS,10aR)-
  • 16,17-Secoestra-1,3,5(10)-trien-17-oic acid, 3-hydroxy-
  • 2-Phenanthrenecarboxylic acid, 1-ethyl-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-, [1S-(1α,2β,4aβ,10aα)]-
  • 2-Phenanthrenecarboxylic acid, 1-ethyl-1,2,3,4,4a,9,10,10a-octahydroxy-7-hydroxy-2-methyl-
  • (1S,2S,4aS,10aR)-1-Ethyl-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-2-phenanthrenecarboxylic acid

Deleted or Replaced CAS Registry Numbers

21528-80-3, 52484-75-0

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