![(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-1,3-dioxo-3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-8-yl acetate](/api/spectrum/2sktuciRal9/structure.png?h=300&w=458 "(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-1,3-dioxo-3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-8-yl acetate")
| SpectraBase Compound ID | EHMP1u9ZPQo |
|---|---|
| InChI | InChI=1S/C21H28O5/c1-12(22)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(23)26-19(21)24/h4,14-17H,5-11H2,1-3H3/t14?,15-,16+,17+,20+,21+/m1/s1 |
| InChIKey | JQMGHWZOPADQSP-OJTXKEFYSA-N |
| Mol Weight | 360.45 g/mol |
| Molecular Formula | C21H28O5 |
| Exact Mass | 360.193674 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2sktuciRal9 |
|---|---|
| Name | (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-1,3-dioxo-3,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-8-yl acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O5 |
| InChI | InChI=1S/C21H28O5/c1-12(22)25-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3)17(15)11-18(23)26-19(21)24/h4,14-17H,5-11H2,1-3H3/t14?,15-,16+,17+,20+,21+/m1/s1 |
| InChIKey | JQMGHWZOPADQSP-OJTXKEFYSA-N |
| Molecular Weight | 360.450 g/mol |
| SMILES | C1C(OC(C)=O)CC2=CC[C@]3([C@]4([C@](C)(CC[C@@]3([C@@]2(C)C1)[H])C(OC(C4)=O)=O)[H])[H] |
| SPLASH | splash10-0udj-0649000000-ad1ee4c484a5848b39b4 |
| Source of Spectrum | K-101-2339-21 |
| Wiley ID | 1793349 |