Tingenone

CAS Registry Number®

50802-21-6

CAS Name

Tingenone

Molecular Formula

C28H36O3

Molecular Mass

420.58

Cite this Page

Tingenone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50802-21-6 (retrieved 2024-11-22) (CAS RN: 50802-21-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-229 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1

InChIKey

InChIKey=WSTYNZDAOAEEKG-GWJSGULQSA-N

SMILES

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC(=O)[C@H](C)C3)[H])CC[C@]4(C)C2=CC=C5C4=CC(=O)C(O)=C5C

Canonical SMILES

O=C1C=C2C(=CC=C3C2(C)CCC4(C)C5CC(C(=O)CC5(C)CCC34C)C)C(=C1O)C

Other Names for this Substance

  • 24,25,26,30-Tetranoroleana-1(10),3,5,7-tetraene-2,21-dione, 3-hydroxy-9,13-dimethyl-, (9β,13α,14β,20β)-
  • D:A-Friedo-24,30-dinoroleana-1(10),3,5,7-tetraene-2,21-dione, 3-hydroxy-, (20β)-
  • Tingenone
  • (9β,13α,14β,20β)-3-Hydroxy-9,13-dimethyl-24,25,26,30-tetranoroleana-1(10),3,5,7-tetraene-2,21-dione
  • Tingenin A

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Deleted or Replaced CAS Registry Numbers

11025-70-0, 11084-67-6, 11137-55-6, 38886-74-7

CAS INSIGHTSTM
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