| SpectraBase Compound ID | 7aJxhpAfn43 |
|---|---|
| InChI | InChI=1S/C23H22O5/c1-2-27-21(25)13-22(26)28-23-19-10-9-16-15-6-4-3-5-14(15)7-8-17(16)18(19)11-12-20(23)24/h3-10,20,23-24H,2,11-13H2,1H3/t20-,23+/m0/s1 |
| InChIKey | KVDWMMXJFKXSDY-NZQKXSOJSA-N |
| Mol Weight | 378.42 g/mol |
| Molecular Formula | C23H22O5 |
| Exact Mass | 378.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | dwy6rKpPy1 |
|---|---|
| Name | (1R,2S)-1-(Ethoxycarbonylacetoxy)-2-hydroxy-1,2,3,4-tetrahydrochrysene |
| Alternate Name(s) | 1-ethyl 3-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydro-1-chrysenyl]malonate 1-O-ethyl 3-O-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydrochrysen-1-yl]propanedioate malonic acid O1-ethyl ester O3-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydrochrysen-1-yl]ester O1-ethyl O3-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydrochrysen-1-yl]propanedioate O1-ethyl O3-[(1R,2S)-2-oxidanyl-1,2,3,4-tetrahydrochrysen-1-yl]propanedioate propanedioic acid O1-ethyl ester O3-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydrochrysen-1-yl]ester propanedioic acid O1-ethyl ester O3-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydrochrysen-1-yl] ester 1-O-ethyl 3-O-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydrochrysen-1-yl] propanedioate O1-ethyl O3-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydrochrysen-1-yl] propanedioate O1-ethyl O3-[(1R,2S)-2-oxidanyl-1,2,3,4-tetrahydrochrysen-1-yl] propanedioate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H22O5 |
| InChI | InChI=1S/C23H22O5/c1-2-27-21(25)13-22(26)28-23-19-10-9-16-15-6-4-3-5-14(15)7-8-17(16)18(19)11-12-20(23)24/h3-10,20,23-24H,2,11-13H2,1H3/t20-,23+/m0/s1 |
| InChIKey | KVDWMMXJFKXSDY-NZQKXSOJSA-N |
| Molecular Weight | 378.424 g/mol |
| SMILES | O[C@@]1([C@@](c2c(c3ccc4c(c3cc2)cccc4)CC1)(OC(CC(=O)OCC)=O)[H])[H] |
| SPLASH | splash10-0002-0092000000-620ef96a27449cb4f582 |
| Source of Spectrum | KC-0-1722-22 |
| Wiley ID | 822670 |