Tingenone
CAS Registry Number®
50802-21-6
CAS Name
TingenoneMolecular Formula
C28H36O3Molecular Mass
420.58Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
11025-70-0, 11084-67-6, 11137-55-6, 38886-74-7