| SpectraBase Compound ID | E8s2oTNK15n |
|---|---|
| InChI | InChI=1S/C29H38O4/c1-18(31)19-4-6-20(7-5-19)24-17-26-28(2,13-14-29(26,33)12-3-15-30)25-11-8-21-16-22(32)9-10-23(21)27(24)25/h4-7,16,23-27,30,33H,3,8-15,17H2,1-2H3/t23-,24+,25?,26?,27?,28-,29+/m0/s1 |
| InChIKey | KPKUITYVRGYPEU-MHNMQQSFSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C29H38O4 |
| Exact Mass | 450.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ERks5IHq1py |
|---|---|
| Name | 11.beta.-(4-Acetylphenyl)-17-.alpha.-hydroxy-17.beta.-(3-hydroxypyrpyl)-14.beta.-estr-4-en-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38O4 |
| InChI | InChI=1S/C29H38O4/c1-18(31)19-4-6-20(7-5-19)24-17-26-28(2,13-14-29(26,33)12-3-15-30)25-11-8-21-16-22(32)9-10-23(21)27(24)25/h4-7,16,23-27,30,33H,3,8-15,17H2,1-2H3/t23-,24+,25?,26?,27?,28-,29+/m0/s1 |
| InChIKey | KPKUITYVRGYPEU-MHNMQQSFSA-N |
| Molecular Weight | 450.619 g/mol |
| SMILES | O[C@@]1(CCCO)C2[C@](C3C([C@]4(CCC(C=C4CC3)=O)[H])[C@](C2)(c2ccc(cc2)C(=O)C)[H])(CC1)C |
| SPLASH | splash10-0002-5911400000-7e38510032938a3f29e7 |
| Source of Spectrum | F-51-5572-27 |
| Synonyms | 1-{4-[(11beta,17alpha)-17-hydroxy-17-(3-hydroxypropyl)-14-methyl-3-oxogon-4-en-11-yl]phenyl}ethanone 11.beta.-(4-Acetylphenyl)-17-.alpha.-hydroxy-17.beta.-(3-hydroxypropyl)-14.beta.-estr-4-en-3-one |
| Wiley ID | 791905 |