| SpectraBase Compound ID | 6Ib0NUnA8v |
|---|---|
| InChI | InChI=1S/C21H30O4/c1-20-7-5-12(22)9-11(20)3-4-13-14(20)6-8-21(2)15(13)10-16-17(21)18(23)19(24)25-16/h3,12-18,22-23H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18+,20-,21-/m0/s1 |
| InChIKey | OITAUXAONDYPOR-IPRWDUJSSA-N |
| Mol Weight | 346.47 g/mol |
| Molecular Formula | C21H30O4 |
| Exact Mass | 346.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DlAe1TulUnG |
|---|---|
| Name | (20R)-3beta,20-Dihydroxy-17alpha-pregn-5-en-21,16alpha-carbolactone |
| Alternate Name(s) | (4S,6aR,6bS,8aS,8bR,9R,11aR,12aS,12bS)-4,9-dihydroxy-6a,8a-dimethyl-1,3,4,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a,12b-hexadecahydro-10H-naphtho[2',1':4,5]indeno[2,1-b]furan-10-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O4 |
| InChI | InChI=1S/C21H30O4/c1-20-7-5-12(22)9-11(20)3-4-13-14(20)6-8-21(2)15(13)10-16-17(21)18(23)19(24)25-16/h3,12-18,22-23H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18+,20-,21-/m0/s1 |
| InChIKey | OITAUXAONDYPOR-IPRWDUJSSA-N |
| Literature Reference DOI | 10.1002/cber.19801131215 |
| Molecular Weight | 346.467 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]5([C@](C(O[C@@]5(C[C@]4([C@@]3(CC=C2C1)[H])[H])[H])=O)(O)[H])[H])C)[H])C)[H] |
| SPLASH | splash10-054o-9625000000-301763a286994065bfc2 |
| Source of Spectrum | K-113-3831-2b |
| Wiley ID | 1792645 |