Compound Summary
Compound Information
16,17-Epoxy-21-acetoxypregnenolone
Compound Name: | 16,17-Epoxy-21-acetoxypregnenolone |
Compound CID: | 14102246 |
Synonyms: | 16,17-Epoxy-21-acetoxypregnenolone 28444-97-5 (3|A,16|A)-21-(Acetyloxy)-16,17-epoxy-3-hydroxypregn-5-en-20-one ZINC16321696 AKOS024386275 More... |
Iupac Name: | [2-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]-2-oxoethyl] acetate |
InChI: | InChI=1S/C23H32O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h4,15-18,20,25H,5-12H2,1-3H3/t15-,16+,17-,18-,20+,21-,22-,23+/m0/s1 |
InChIKey: | ZGLUWNAFPZDBGF-QJZOTDIVSA-N |
Canonical Smiles: | CC(=O)OCC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C |
Isomeric Smiles: | CC(=O)OCC(=O)[C@]12[C@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C |
Molecular Weight: | 388.5 |
Molecular Formula: | C23H32O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
16,17-Epoxy-21-acetoxypregnenolone
Molecular Weight: | 388.5 |
Molecular Formula: | C23H32O5 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 28 |
Complexity: | 758 |
Synonyms
16,17-Epoxy-21-acetoxypregnenolone
| 16,17-Epoxy-21-acetoxypregnenolone | 16,17-Epoxy-21-acetoxypregnenolone |
|---|---|
16,17-Epoxy-21-acetoxypregnenolone |
28444-97-5 |
(3|A,16|A)-21-(Acetyloxy)-16,17-epoxy-3-hydroxypregn-5-en-20-one |
ZINC16321696 |
AKOS024386275 |
16,17-epoxy-21 -acetoxy-pregnenolone |
NCGC00485028-01 |
ST51037242 |
16,17-Epoxy-21-acetoxypregnenolone, >=98% |
J-017072 |
16alpha,17-Epoxy-20-oxopregn-5-ene-3beta,21-diol 21-acetate |
2-((2S,6S,7S,10S,14S,1R,4R,11R)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo8.8.0 .0<2,7>.0<4,6>.0<11,16>octadec-16-en-6-yl)-2-oxoethyl acetate |
Experimental Data
16,17-Epoxy-21-acetoxypregnenolone
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10 | umol/L | 17.23 | 14.2 | -17.54 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100 | umol/L | 17.08 | 17.15 | 0.4546 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
16,17-Epoxy-21-acetoxypregnenolone
Statistics Data
16,17-Epoxy-21-acetoxypregnenolone
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.4546 | 1 | 2 |
Statistics Data Visualization
16,17-Epoxy-21-acetoxypregnenolone
