![[1.xi.-(2)H]GA(20) methyl ester 13-acetate](/api/spectrum/DQS8SzV41xS/structure.png?h=300&w=458 "[1.xi.-(2)H]GA(20) methyl ester 13-acetate")
| SpectraBase Compound ID | DYwajuRyiIH |
|---|---|
| InChI | InChI=1S/C22H28O6/c1-12-10-21-11-22(12,28-13(2)23)9-7-15(21)14-6-5-8-20(3,19(25)26)16(14)17(21)18(24)27-4/h5-6,14-17H,1,7-11H2,2-4H3,(H,25,26)/t14?,15?,16?,17-,20?,21+,22+/m1/s1/i6D |
| InChIKey | PUCLXVZNAGYHHM-PORNIQEZSA-N |
| Mol Weight | 389.47 g/mol |
| Molecular Formula | C22H272DO6 |
| Exact Mass | 389.194865 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DQS8SzV41xS |
|---|---|
| Name | [1.xi.-(2)H]GA(20) methyl ester 13-acetate |
| CAS Registry Number | 109950-83-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H27DO6 |
| InChI | InChI=1S/C22H28O6/c1-12-10-21-11-22(12,28-13(2)23)9-7-15(21)14-6-5-8-20(3,19(25)26)16(14)17(21)18(24)27-4/h5-6,14-17H,1,7-11H2,2-4H3,(H,25,26)/t14?,15?,16?,17-,20?,21+,22+/m1/s1/i6D |
| InChIKey | PUCLXVZNAGYHHM-PORNIQEZSA-N |
| Molecular Weight | 389.466 g/mol |
| SMILES | OC(C1(C2[C@@]([C@@]34C(C2C(=CC1)[2D])CC[C@@](C4)(OC(=O)C)C(C3)=C)(C(=O)OC)[H])C)=O |
| SPLASH | splash10-000e-4039000000-7c354fc2cd0cd09b6e1f |
| Source of Spectrum | F-42-3211-17 |
| Wiley ID | 1363892 |