| SpectraBase Compound ID | IH0WeD9vsOj |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-20-7-5-13(22)9-12(20)3-4-14-15(20)6-8-21(2)16(14)10-18-17(21)11-19(23)24-18/h3,14-18H,4-11H2,1-2H3/t14-,15+,16+,17-,18-,20+,21+/m1/s1 |
| InChIKey | KYKAFYKDSISNCQ-DSWAIOAZSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | rMlEsYRCbH |
|---|---|
| Name | 3-Oxo-17alpha-pregn-4-en-21,16alpha-carbolactone |
| Alternate Name(s) | (6aR,6bS,8aS,8bS,11aR,12aS,12bS)-6a,8a-dimethyl-1,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a,12b-tetradecahydro-4H-naphtho[2',1':4,5]indeno[2,1-b]furan-4,10(3H)-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-20-7-5-13(22)9-12(20)3-4-14-15(20)6-8-21(2)16(14)10-18-17(21)11-19(23)24-18/h3,14-18H,4-11H2,1-2H3/t14-,15+,16+,17-,18-,20+,21+/m1/s1 |
| InChIKey | KYKAFYKDSISNCQ-DSWAIOAZSA-N |
| Literature Reference DOI | 10.1002/cber.19801131215 |
| Molecular Weight | 328.452 g/mol |
| SMILES | C1C[C@]2(C(CC1=O)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(C[C@@]1([C@]2(CC(O1)=O)[H])[H])[H])C)[H])[H])C |
| SPLASH | splash10-054o-9532000000-12dfe7bd6cedcfa57518 |
| Source of Spectrum | K-113-3834-3c |
| Wiley ID | 1792655 |