| SpectraBase Compound ID | BZq6LivBfiV |
|---|---|
| InChI | InChI=1S/C23H34O6/c1-13(24)17-7-10-23(28)21(17,4)19(29-14(2)25)12-18-20(3)8-6-16(26)11-15(20)5-9-22(18,23)27/h5,16-19,26-28H,6-12H2,1-4H3 |
| InChIKey | GIYXVOZQFMWJLC-UHFFFAOYSA-N |
| Mol Weight | 406.5 g/mol |
| Molecular Formula | C23H34O6 |
| Exact Mass | 406.235539 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BlW4TG7KrWI |
|---|---|
| Name | Pregn-5-en-20-one, 12-(acetyloxy)-3,8,14-trihydroxy-, (3.beta.,12.beta.,14.beta.)- |
| CAS Registry Number | 55955-56-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H34O6 |
| InChI | InChI=1S/C23H34O6/c1-13(24)17-7-10-23(28)21(17,4)19(29-14(2)25)12-18-20(3)8-6-16(26)11-15(20)5-9-22(18,23)27/h5,16-19,26-28H,6-12H2,1-4H3 |
| InChIKey | GIYXVOZQFMWJLC-UHFFFAOYSA-N |
| Molecular Weight | 406.519 g/mol |
| SMILES | OC12C3(C(C4(C(CC(CC4)O)=CC3)C)CC(C1(C)C(C(C)=O)CC2)OC(C)=O)O |
| SPLASH | splash10-0a4m-6931000000-e5c033df436371912345 |
| Source of Spectrum | H-53-2047-1 |
| Synonyms | 3,8,14-Trihydroxy-20-oxopregn-5-en-12-yl acetate (17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl) acetate Acetic acid (17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl) ester |
| Wiley ID | 1372201 |