| SpectraBase Compound ID | 1MXlfAFZylh |
|---|---|
| InChI | InChI=1S/C21H29ClO2/c1-4-12-6-8-15-14-7-5-13-11-17(23)18(22)19(24)21(13,3)16(14)9-10-20(12,15)2/h4,11-12,14-16,18-19,24H,1,5-10H2,2-3H3/t12-,14?,15?,16?,18-,19+,20+,21-/m0/s1 |
| InChIKey | HOLZLOOBLKJWIT-XAYXEQOWSA-N |
| Mol Weight | 348.91 g/mol |
| Molecular Formula | C21H29ClO2 |
| Exact Mass | 348.185608 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3hil2G7QlFM |
|---|---|
| Name | 4,20-Pregnadien-1.beta.-hydroxy-2.alpha.-chloro-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29ClO2 |
| InChI | InChI=1S/C21H29ClO2/c1-4-12-6-8-15-14-7-5-13-11-17(23)18(22)19(24)21(13,3)16(14)9-10-20(12,15)2/h4,11-12,14-16,18-19,24H,1,5-10H2,2-3H3/t12-,14?,15?,16?,18-,19+,20+,21-/m0/s1 |
| InChIKey | HOLZLOOBLKJWIT-XAYXEQOWSA-N |
| Molecular Weight | 348.914 g/mol |
| SMILES | O[C@]1([C@]2(C(=CC([C@@]1(Cl)[H])=O)CCC1C2CC[C@@]2([C@@](C=C)(CCC12)[H])C)C)[H] |
| SPLASH | splash10-02fy-9624000000-bbaae3ed73b368a5066a |
| Source of Spectrum | Y1-45-918-1 |
| Wiley ID | 1621833 |