| SpectraBase Compound ID | 3kTTa4Uyu2 |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-12(22)15-7-9-21(25)16-5-4-13-10-14(23)6-8-19(13,2)17(16)11-18(24)20(15,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14?,15-,16?,17?,18?,19+,20+,21-/m1/s1 |
| InChIKey | NWFNMRFBJUONKD-LQXBZJDISA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | a259x89vZP |
|---|---|
| Name | Isodigipurpurogenins II |
| Alternate Name(s) | 3,12,14-trihydroxypregn-5-en-20-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-12(22)15-7-9-21(25)16-5-4-13-10-14(23)6-8-19(13,2)17(16)11-18(24)20(15,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14?,15-,16?,17?,18?,19+,20+,21-/m1/s1 |
| InChIKey | NWFNMRFBJUONKD-LQXBZJDISA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | OC1[C@]2([C@](C3CC=C4CC(CC[C@@]4(C3C1)C)O)(CC[C@@]2(C(=O)C)[H])O)C |
| SPLASH | splash10-02tc-9852000000-379325103ee6a88c7270 |
| Source of Spectrum | F-21-1799-4 |
| Wiley ID | 1340825 |