| SpectraBase Compound ID | 6IkBfQjtf7n |
|---|---|
| InChI | InChI=1S/C21H30O3/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/h3,13-18,22H,4-11H2,1-2H3/t13-,14+,15-,16-,17+,18+,20-,21-/m0/s1 |
| InChIKey | JJIKGJPRPQHYDX-FNOULHJYSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Dk7qoPngUx |
|---|---|
| Name | 3beta-Hydroxy-17alpha-pregn-5-en-21,16alpha-carbolactone |
| Alternate Name(s) | (4S,6aR,6bS,8aS,8bS,11aR,12aS,12bS)-4-hydroxy-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 | C21H30O3 |
| InChI | InChI=1S/C21H30O3/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/h3,13-18,22H,4-11H2,1-2H3/t13-,14+,15-,16-,17+,18+,20-,21-/m0/s1 |
| InChIKey | JJIKGJPRPQHYDX-FNOULHJYSA-N |
| Literature Reference DOI | 10.1002/cber.19801131215 |
| Molecular Weight | 330.468 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C1)=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)[H] |
| SPLASH | splash10-052f-9742000000-e6419b899366433cf8dd |
| Source of Spectrum | K-113-3833-2i |
| Wiley ID | 1792652 |