| SpectraBase Compound ID | FRODoJmNPuk |
|---|---|
| InChI | InChI=1S/C25H34O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,8,18-21H,6-7,9-14H2,1-4H3 |
| InChIKey | UGTGGLOTLSAFLH-UHFFFAOYSA-N |
| Mol Weight | 414.5 g/mol |
| Molecular Formula | C25H34O5 |
| Exact Mass | 414.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HgJYRinj7iR |
|---|---|
| Name | Pregna-5,16-dien-20-one, 3,21-bis(acetyloxy)-, (3.beta.)- |
| CAS Registry Number | 37413-93-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34O5 |
| InChI | InChI=1S/C25H34O5/c1-15(26)29-14-23(28)22-8-7-20-19-6-5-17-13-18(30-16(2)27)9-11-24(17,3)21(19)10-12-25(20,22)4/h5,8,18-21H,6-7,9-14H2,1-4H3 |
| InChIKey | UGTGGLOTLSAFLH-UHFFFAOYSA-N |
| Molecular Weight | 414.542 g/mol |
| SMILES | CC(=O)OCC(=O)C1=CCC2C1(CCC1C2CC=C2C1(CCC(C2)OC(=O)C)C)C |
| SPLASH | splash10-0f89-1689000000-5b9e4c39f84726c01493 |
| Source of Spectrum | AD-0-1540-0 |
| Synonyms | 21-(Acetyloxy)-20-oxopregna-5,16-dien-3-yl acetate Acetic acid [2-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester [2-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate [2-(3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate [2-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate |
| Wiley ID | 1375532 |