| SpectraBase Compound ID | 7aMKKDZWnNp |
|---|---|
| InChI | InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1 |
| InChIKey | WDXRGPWQVHZTQJ-OSJVMJFVSA-N |
| Mol Weight | 312.45 g/mol |
| Molecular Formula | C21H28O2 |
| Exact Mass | 312.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BsQGEKfzkw0 |
|---|---|
| Name | (17Z)-pregna-4,17(20)-diene-3,16-dione |
| Alternate Name(s) | Guggulsterone (17Z)-pregna-4,17-diene-3,16-dione (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-quinone Z-guggulsterone |
| CAS Registry Number | 39025-23-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O2 |
| InChI | InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1 |
| InChIKey | WDXRGPWQVHZTQJ-OSJVMJFVSA-N |
| Molecular Weight | 312.453 g/mol |
| SMILES | C1(CC[C@]2(C(=C1)CC[C@]1([C@@]3(CC(\C(=C/C)[C@@]3(C)CC[C@]21[H])=O)[H])[H])C)=O |
| SPLASH | splash10-01ot-0094000000-fd1a07f7b1dd59d0c0f3 |
| Source of Spectrum | G4-61-431-1 |
| Wiley ID | 1607184 |