Stizophyllin
CAS Registry Number®
109237-00-5
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CAS Name
StizophyllinMolecular Formula
C21H28O4Molecular Mass
344.44Cite this Page
Stizophyllin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=109237-00-5 (retrieved ) (CAS RN: 109237-00-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H28O4/c1-11(22)14-6-7-15-13-5-4-12-8-17(23)18(24)10-20(12,2)16(13)9-19(25)21(14,15)3/h5-6,8,15-19,23-25H,4,7,9-10H2,1-3H3/t15-,16-,17-,18-,19+,20-,21+/m0/s1
InChIKey
InChIKey=IWQKGRNFKYKJHS-SPKZCENISA-N
SMILES
C[C@@]12[C@@]3(C([C@]4([C@](C)([C@H](O)C3)C(C(C)=O)=CC4)[H])=CCC1=C[C@H](O)[C@@H](O)C2)[H]
Canonical SMILES
O=C(C1=CCC2C3=CCC4=CC(O)C(O)CC4(C)C3CC(O)C12C)C
Other Names for this Substance
- Pregna-4,7,16-trien-20-one, 2,3,12-trihydroxy-, (2β,3α,12β)-
- (2β,3α,12β)-2,3,12-Trihydroxypregna-4,7,16-trien-20-one
- Stizophyllin